Skip to main content
What types of page to search?

Alternatively use our A-Z index.

David L. Cooper

Dr David L. Cooper
MA DPhil

Honorary Reader in Physical Chemistry
Chemistry

Publications

What type of publication do you want to show?

2024

2023

Valence Bond Theory

Atkins, P., Ratcliffe, G., Wormald, M., & Paula, J. D. (2023). Valence Bond Theory. Oxford University Press. doi:10.1093/hesc/9780198830108.003.0044

DOI
10.1093/hesc/9780198830108.003.0044
Book

Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules

Dunning, T. H., Cooper, D. L., Xu, L. T., & Karadakov, P. B. (2023). Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules. In Comprehensive Computational Chemistry, First Edition: Volume 1-4 (Vol. 1, pp. V1-354-V1-402). doi:10.1016/B978-0-12-821978-2.00017-9

DOI
10.1016/B978-0-12-821978-2.00017-9
Chapter

2022

2021

2020

Comparison of DAFH and FALDI-like approaches

Cooper, D. L., de Lange, J. H., & Ponec, R. (2020). Comparison of DAFH and FALDI-like approaches. THEORETICAL CHEMISTRY ACCOUNTS, 139(12). doi:10.1007/s00214-020-02686-w

DOI
10.1007/s00214-020-02686-w
Journal article

Are multicentre bond indices and related quantities reliable predictors of excited-state aromaticity?

Ponec, R., Cooper, D. L., & Karadakov, P. B. (2020). Are Multicentre Bond Indices and Related Quantities Reliable Predictors of Excited-State Aromaticity?. MOLECULES, 25(20). doi:10.3390/molecules25204791

DOI
10.3390/molecules25204791
Journal article

Nature of the chemical bonding in D3h [MH₃M]⁺ cations (M = Be, Mg)

Penotti, F. E., Cooper, D. L., Karadakov, P. B., & Ponec, R. (2020). Nature of the chemical bonding in D3h [MH₃M]⁺ cations (M = Be, Mg). International Journal of Quantum Chemistry. doi:10.22541/au.157592439.94326425

DOI
10.22541/au.157592439.94326425
Journal article

Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzene

Xu, L. T., Cooper, D. L., & Dunning, Jr, T. H. (2020). Resolving a puzzling anomaly in the spin-coupled generalized valence bond description of benzene. Journal of Computational Chemistry, 41(15), 1421-1426. doi:10.1002/jcc.26185

DOI
10.1002/jcc.26185
Journal article

2019

Nine questions on energy decomposition analysis

Andrés, J., Boto, R. A., Ayers, P. W., Carbó-Dorca, R., Chermette, H., Cioslowski, J., . . . Zins, É. -L. (2019). Nine questions on energy decomposition analysis. Journal of Computational Chemistry, 40(26), 2248-2283. doi:10.1002/jcc.26003

DOI
10.1002/jcc.26003
Journal article

Is the S₂N₂ ring a singlet diradical? Critical analysis of alternative valence bond descriptions

Penotti, F. E., Cooper, D. L., & Karadakov, P. B. (2019). Is the S<sub>2</sub>N<sub>2</sub> ring a singlet diradical? Critical analysis of alternative valence bond descriptions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 119(7). doi:10.1002/qua.25845

DOI
10.1002/qua.25845
Journal article

2018

Cover Feature: Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low‐Lying Electronic States of S<sub>2</sub>N<sub>2</sub> (Chem. Eur. J. 63/2018)

Karadakov, P. B., Al‐Yassiri, M. A. H., & Cooper, D. L. (2018). Cover Feature: Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low‐Lying Electronic States of S<sub>2</sub>N<sub>2</sub> (Chem. Eur. J. 63/2018). Chemistry – A European Journal, 24(63), 16700. doi:10.1002/chem.201805086

DOI
10.1002/chem.201805086
Journal article

Insights into molecular electronic structure from domain-averaged Fermi hole (DAFH) and bond order analysis using correlated density matrices

Cooper, D. L., & Ponec, R. (2018). Insights into molecular electronic structure from domain-averaged Fermi hole (DAFH) and bond order analysis using correlated density matrices. In R. Carbó-Dorca, & T. Chakraborty (Eds.), Quantum Chemistry at the Dawn of the 21st Century (Vol. 1, 1 ed., pp. 405-443). New Jersey: Apple Academic Press.

Chapter

2017

2016

Combining rival π-space descriptions of O₃ and of SO₂

Penotti, F. E., & Cooper, D. L. (2016). Combining rival -space descriptions of O<sub>3</sub> and of SO<sub>2</sub>. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 116(9), 718-730. doi:10.1002/qua.25094

DOI
10.1002/qua.25094
Journal article

2015

Three-dimensional networks containing rectangular Sr₄ and Ba₄ units: Synthesis, structure, bonding, and potential application for Ne gas separation

Mandal, S., Pan, S., Deb, D., Giri, S., Duley, S., Radenkovic, S., . . . Chattaraj, P. K. (2015). Three-dimensional networks containing rectangular Sr<sub>4</sub> and Ba<sub>4</sub> units: Synthesis, structure, bonding, and potential application for Ne gas separation. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 115(20), 1501-1509. doi:10.1002/qua.24970

DOI
10.1002/qua.24970
Journal article

Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules?

Cooper, D. L., Ponec, R., & Kohout, M. (2015). Are orbital-resolved shared-electron distribution indices and Cioslowski covalent bond orders useful for molecules?. MOLECULAR PHYSICS, 113(13-14), 1682-1689. doi:10.1080/00268976.2015.1004377

DOI
10.1080/00268976.2015.1004377
Journal article

Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding

Penotti, F. E., & Cooper, D. L. (2015). Combining symmetry-separated and bent-bond spin-coupled models of cylindrically symmetric multiple bonding. MOLECULAR PHYSICS, 113(13-14), 1690-1694. doi:10.1080/00268976.2015.1005705

DOI
10.1080/00268976.2015.1005705
Journal article

Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory

Cooper, D. L., Karadakov, P. B., & Duke, B. J. (2015). Bonding in Singlet and Triplet Butalene: Insights from Spin-Coupled Theory. JOURNAL OF PHYSICAL CHEMISTRY A, 119(10), 2169-2175. doi:10.1021/acs.jpca.5b00522

DOI
10.1021/acs.jpca.5b00522
Journal article

Six questions on topology in theoretical chemistry

Ayers, P. L. A., Boyd, R. J. B., Bultinck, P., Caffarel, M. D., Carbo-Dorca, R. E., Causa, M. F., . . . Tsirelson, V. X. (2015). Six questions on topology in theoretical chemistry. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1053, 2-16. doi:10.1016/j.comptc.2014.09.028

DOI
10.1016/j.comptc.2014.09.028
Journal article

Why is the bond multiplicity in C₂ so elusive?

Cooper, D. L., Penotti, F. E., & Ponec, R. (2015). Why is the bond multiplicity in C₂ so elusive?. Computational and Theoretical Chemistry, 1053, 189-194. doi:10.1016/j.comptc.2014.08.024

DOI
10.1016/j.comptc.2014.08.024
Journal article

Modern valence-bond description of aromatic annulene ions

Karadakov, P. B., & Cooper, D. L. (2015). Modern valence-bond description of aromatic annulene ions. In Highlights in Theoretical Chemistry (pp. 123-130). Springer Berlin Heidelberg. doi:10.1007/978-3-662-47051-0_11

DOI
10.1007/978-3-662-47051-0_11
Chapter

2014

Bonding in benzodicyclobutadiene isomers: insights from modern valence bond theory

Cooper, D. L., & Karadakov, P. B. (2014). Bonding in benzodicyclobutadiene isomers: insights from modern valence bond theory. MOLECULAR PHYSICS, 112(21), 2840-2852. doi:10.1080/00268976.2014.914598

DOI
10.1080/00268976.2014.914598
Journal article

Modern valence-bond description of aromatic annulene ions

Karadakov, P. B., & Cooper, D. L. (2013). Modern valence-bond description of aromatic annulene ions. THEORETICAL CHEMISTRY ACCOUNTS, 133(1). doi:10.1007/s00214-013-1421-1

DOI
10.1007/s00214-013-1421-1
Journal article

2013

Bond formation in diatomic transition metal hydrides: Insights from the analysis of domain-averaged fermi holes

Cooper, D. L., & Ponec, R. (2013). Bond formation in diatomic transition metal hydrides: Insights from the analysis of domain-averaged fermi holes. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 113(2), 102-111. doi:10.1002/qua.24172

DOI
10.1002/qua.24172
Journal article

2012

Spin-Coupled Theory for '<i>N</i> Electrons in <i>M</i> Orbitals' Active Spaces

Karadakov, P. B., Cooper, D. L., Duke, B. J., & Li, J. (2012). Spin-Coupled Theory for '<i>N</i> Electrons in <i>M</i> Orbitals' Active Spaces. JOURNAL OF PHYSICAL CHEMISTRY A, 116(26), 7238-7244. doi:10.1021/jp303998h

DOI
10.1021/jp303998h
Journal article

2011

Variational second order density matrix study of F₃⁻: Importance of subspace constraints for size-consistency

van Aggelen, H., Verstichel, B., Bultinck, P., Van Neck, D., Ayers, P. W., & Cooper, D. L. (2011). Variational second order density matrix study of F<sub>3</sub><SUP>-</SUP>: Importance of subspace constraints for size-consistency. JOURNAL OF CHEMICAL PHYSICS, 134(5). doi:10.1063/1.3532409

DOI
10.1063/1.3532409
Journal article

2010

Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes

Bultinck, P., Cooper, D. L., & Ponec, R. (2010). Influence of Atoms-in-Molecules Methods on Shared-Electron Distribution Indices and Domain-Averaged Fermi Holes. JOURNAL OF PHYSICAL CHEMISTRY A, 114(33), 8754-8763. doi:10.1021/jp101707w

DOI
10.1021/jp101707w
Journal article

Chemical verification of variational second-order density matrix based potential energy surfaces for the N₂ isoelectronic series

van Aggelen, H., Verstichel, B., Bultinck, P., Van Neck, D., Ayers, P. W., & Cooper, D. L. (2010). Chemical verification of variational second-order density matrix based potential energy surfaces for the N<sub>2</sub> isoelectronic series. JOURNAL OF CHEMICAL PHYSICS, 132(11). doi:10.1063/1.3354910

DOI
10.1063/1.3354910
Journal article

ChemInform Abstract: Spin‐Coupled Descriptions of Organic Reactivity

Cooper, D. L., & Karadakov, P. B. (2010). ChemInform Abstract: Spin‐Coupled Descriptions of Organic Reactivity. ChemInform, 41(3). doi:10.1002/chin.201003262

DOI
10.1002/chin.201003262
Journal article

2009

Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space

Cooper, D. L., & Ponec, R. (2009). Anatomy of Bond Formation: Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109(11), 2383-2392. doi:10.1002/qua.22046

DOI
10.1002/qua.22046
Journal article

Comparison Between the Performances of the Spin-Projected Hartree-Fock, Generalized Valence-Bond, and Spin-Coupled Approaches

Karadakov, P. B., & Cooper, D. L. (2009). Comparison Between the Performances of the Spin-Projected Hartree-Fock, Generalized Valence-Bond, and Spin-Coupled Approaches. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109(11), 2447-2455. doi:10.1002/qua.22004

DOI
10.1002/qua.22004
Journal article

Modern Valence Bond Description of the Electronic Mechanism of a [1,3] Sigmatropic Rearrangement Linking Bicyclo[3.2.0]hept-2-ene and Bicyclo[2.2.1]hept-2-ene (Norbornene)

Karadakov, P. B., Cooper, D. L., & Uhe, A. (2009). Modern Valence Bond Description of the Electronic Mechanism of a [1,3] Sigmatropic Rearrangement Linking Bicyclo[3.2.0]hept-2-ene and Bicyclo[2.2.1]hept-2-ene (Norbornene). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 109(9), 1807-1811. doi:10.1002/qua.21961

DOI
10.1002/qua.21961
Journal article

Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors

Al-Fahemi, J. H. A., Cooper, D. L., & Allan, N. L. (2009). Predictions of Toxicity to Chlorella vulgaris and the Use of Momentum-space Descriptors. CROATICA CHEMICA ACTA, 82(1), 311-316. Retrieved from https://www.webofscience.com/

Journal article

QSAR using momentum-space and trivial feature count descriptors - An application to <i>Tetrahymena pyriformis</i> toxicity

Al-Fahemi, J. H. A., Cooper, D. L., & Allan, N. L. (2009). QSAR using momentum-space and trivial feature count descriptors - An application to <i>Tetrahymena pyriformis</i> toxicity. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 901(1-3), 56-59. doi:10.1016/j.theochem.2009.01.007

DOI
10.1016/j.theochem.2009.01.007
Journal article

Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes

Bultinck, P., Cooper, D. L., & Van Neck, D. (2009). Comparison of the Hirshfeld-I and iterated stockholder atoms in molecules schemes. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(18), 3424-3429. doi:10.1039/b821734c

DOI
10.1039/b821734c
Journal article

Spin-coupled descriptions of organic reactivity

Cooper, D. L., & Karadakov, P. B. (2009). Spin-coupled descriptions of organic reactivity. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 28(2), 169-206. doi:10.1080/01442350902996092

DOI
10.1080/01442350902996092
Journal article

2008

Spin-Coupled Description of Aromaticity in the Retro Diels-Alder Reaction of Norbornene

Hill, J. G., Cooper, D. L., & Karadakov, P. B. (2008). Spin-Coupled Description of Aromaticity in the Retro Diels-Alder Reaction of Norbornene. JOURNAL OF PHYSICAL CHEMISTRY A, 112(50), 12823-12828. doi:10.1021/jp800969k

DOI
10.1021/jp800969k
Journal article

Analytic models of domain-averaged fermi holes: A new tool for the study of the nature of chemical bonds

Ponec, R., Cooper, D. L., & Savin, A. (2008). Analytic models of domain-averaged fermi holes: A new tool for the study of the nature of chemical bonds. CHEMISTRY-A EUROPEAN JOURNAL, 14(11), 3338-3345. doi:10.1002/chem.200701727

DOI
10.1002/chem.200701727
Journal article

A one-electron approximation to domain-averaged Fermi hole analysis

Cooper, D. L., & Ponec, R. (2008). A one-electron approximation to domain-averaged Fermi hole analysis. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 10(9), 1319-1329. doi:10.1039/b715904h

DOI
10.1039/b715904h
Journal article

2007

Anatomy of bond formation. Domain-averaged Fermi holes as a tool for the study of the nature of the chemical bonding in Li₂, Li₄ and F₂

Ponec, R. (2007). Anatomy of bond formation. domain-averaged fermi holes as a tool for the study of the nature of the chemical bonding in Li<sub>2</sub>, Li<sub>4</sub>, and F<sub>2</sub>. JOURNAL OF PHYSICAL CHEMISTRY A, 111(44), 11294-11301. doi:10.1021/jp070817f

Journal article

Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration

Al-Fahemi, J. H. A., Cooper, D. L., & Allan, N. L. (2007). Investigating the utility of momentum-space descriptors for predicting blood-brain barrier penetration. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 26(3), 607-612. doi:10.1016/j.jmgm.2007.01.002

DOI
10.1016/j.jmgm.2007.01.002
Journal article

Modern Valence Bond Theory

Cooper, D. L., Gerratt, J., & Raimondi, M. (1987). Modern Valence Bond Theory. Unknown Journal, 319-397. doi:10.1002/9780470142943.ch6

DOI
10.1002/9780470142943.ch6
Journal article

Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds from the analysis of domain-averaged Fermi holes

Ponec, R., & Cooper, D. L. (2007). Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds from the analysis of domain-averaged Fermi holes. FARADAY DISCUSSIONS, 135, 31-42. doi:10.1039/b605313k

DOI
10.1039/b605313k
Journal article

The unusual electronic mechanism of the [1,5] hydrogen shift in (<i>Z</i>)-1,3-pentadiene predicted by modern valence bond theory

Karadakov, P. B., Hill, J. G., & Cooper, D. L. (2007). The unusual electronic mechanism of the [1,5] hydrogen shift in (<i>Z</i>)-1,3-pentadiene predicted by modern valence bond theory. FARADAY DISCUSSIONS, 135, 285-297. doi:10.1039/b605100f

DOI
10.1039/b605100f
Journal article

2006

Modern valence-bond-like representations of selected D₆h "aromatic" rings

Hill, J. G., Cooper, D. L., & Karadakov, P. B. (2006). Modern valence-bond-like representations of selected <i>D</i><sub>6<i>h</i></sub> "aromatic" rings. JOURNAL OF PHYSICAL CHEMISTRY A, 110(25), 7913-7917. doi:10.1021/jp057458d

DOI
10.1021/jp057458d
Journal article

A spin-coupled study of the Claisen rearrangement of allyl vinyl ether

Hill, J. G., Karadakov, P. B., & Cooper, D. L. (2006). A spin-coupled study of the Claisen rearrangement of allyl vinyl ether. THEORETICAL CHEMISTRY ACCOUNTS, 115(4), 212-220. doi:10.1007/s00214-005-0007-y

DOI
10.1007/s00214-005-0007-y
Journal article

The spin-coupled picture of clamped benzenes

Hill, J. G., Karadakov, P. B., & Cooper, D. L. (2006). The spin-coupled picture of clamped benzenes. MOLECULAR PHYSICS, 104(5-7), 677-680. doi:10.1080/0028970500417630

DOI
10.1080/0028970500417630
Journal article

The electronic structure of nitrilimine: absence of the carbenic form

Cargnoni, F., Molteni, G., Cooper, D. L., Raimondi, M., & Ponti, A. (2006). The electronic structure of nitrilimine: absence of the carbenic form. CHEMICAL COMMUNICATIONS, (9), 1030-1032. doi:10.1039/b517030c

DOI
10.1039/b517030c
Journal article

2005

The quantitative use of momentum-space descriptors

Al-Fahemi, J. H., Cooper, D. L., & Allan, N. L. (2005). The quantitative use of momentum-space descriptors. CHEMICAL PHYSICS LETTERS, 416(4-6), 376-380. doi:10.1016/j.cplett.2005.09.055

DOI
10.1016/j.cplett.2005.09.055
Journal article

Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds

Ponec, R., & Cooper, D. L. (2005). Anatomy of bond formation. Bond length dependence of the extent of electron sharing in chemical bonds. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 727(1-3), 133-138. doi:10.1016/j.theochem.2005.02.032

DOI
10.1016/j.theochem.2005.02.032
Journal article

The use of momentum-space descriptors for predicting octanol-water partition coefficients

Al-Fahemi, J. H., Cooper, D. L., & Allan, N. L. (2005). The use of momentum-space descriptors for predicting octanol-water partition coefficients. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 727(1-3), 57-61. doi:10.1016/j.theochem.2005.02.016

DOI
10.1016/j.theochem.2005.02.016
Journal article

Spin-coupled study of the electronic mechanism of the hetero-diels-alder reaction of acrolein and ethene

Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2005). Spin-coupled study of the electronic mechanism of the hetero-diels-alder reaction of acrolein and ethene. JOURNAL OF PHYSICAL CHEMISTRY A, 109(1), 231-235. doi:10.1021/jp047431e

DOI
10.1021/jp047431e
Journal article

Chemistry and bonding

Cooper, D. L. (2005). Chemistry and bonding. Chemistry World, 2, 54.

Book Review

2004

Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered

Ponec, R., Yuzhakov, G., & Cooper, D. L. (2004). Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered. THEORETICAL CHEMISTRY ACCOUNTS, 112(5-6), 419-430. doi:10.1007/s00214-004-0597-9

DOI
10.1007/s00214-004-0597-9
Journal article

Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O³⁺ with molecular hydrogen

Stancil, P. C., Wang, J. G., Turner, A. R., & Cooper, D. L. (2004). Target isotope effects for vibrationally-resolved electron capture in low-energy collisions of O<SUP>3+</SUP> with molecular hydrogen. FARADAY DISCUSSIONS, 127, 73-80. doi:10.1039/b314016d

DOI
10.1039/b314016d
Journal article

Spin-coupled study of addition reactions of singlet dihalocarbenes with ethene

Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2004). Spin-coupled study of addition reactions of singlet dihalocarbenes with ethene. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 98(5), 465-472. doi:10.1002/qua.20081

DOI
10.1002/qua.20081
Journal article

Generalized population analysis of three-center two-electron bonding

Ponec, R., & Cooper, D. L. (2004). Generalized population analysis of three-center two-electron bonding. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 97(6), 1002-1011. doi:10.1002/qua.20007

DOI
10.1002/qua.20007
Journal article

Modern valence bond description of the electronic mechanisms of S<sub>N</sub>2 identity reactions

Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2004). Modern valence bond description of the electronic mechanisms of S<sub>N</sub>2 identity reactions. JOURNAL OF PHYSICAL CHEMISTRY A, 108(5), 914-920. doi:10.1021/jp037348b

DOI
10.1021/jp037348b
Journal article

Aromatic vs diradical character in the transition states of the cope rearrangements of 1,5-hexadiene and its cyano derivatives

Blavins, J. J., Cooper, D. L., & Karadakov, P. B. (2004). Aromatic vs diradical character in the transition states of the cope rearrangements of 1,5-hexadiene and its cyano derivatives. JOURNAL OF PHYSICAL CHEMISTRY A, 108(1), 194-202. doi:10.1021/jp036660i

DOI
10.1021/jp036660i
Journal article

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2004). Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?. Angewandte Chemie, 116(2), 143. doi:10.1002/ange.200390672

DOI
10.1002/ange.200390672
Journal article

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2004). Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?. Angewandte Chemie International Edition, 43(2), 141. doi:10.1002/anie.200390646

DOI
10.1002/anie.200390646
Journal article

Vibrationally resolved charge transfer of O³⁺ with molecular hydrogen

Wang, J. G., Stancil, P. C., Turner, A. R., & Cooper, D. L. (2004). Vibrationally resolved charge transfer of O<SUP>3+</SUP> with molecular hydrogen -: art. no. 062702. PHYSICAL REVIEW A, 69(6). doi:10.1103/PhysRevA.69.062702

DOI
10.1103/PhysRevA.69.062702
Journal article

2003

Structure-property relationships and momentum space quantities: Hammett σ-constants

Amat, L., Carbó-Dorca, R., Cooper, D. L., Allan, N. L., & Ponec, R. (2003). Structure-property relationships and momentum space quantities:: Hammett σ-constants. MOLECULAR PHYSICS, 101(21), 3159-3162. doi:10.1080/00268970310001632499

DOI
10.1080/00268970310001632499
Journal article

Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of methyl azide to ethene

Blavins, J. J., Karadakov, P. B., & Cooper, D. L. (2003). Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of methyl azide to ethene. JOURNAL OF PHYSICAL CHEMISTRY A, 107(14), 2548-2559. doi:10.1021/jp027331d

DOI
10.1021/jp027331d
Journal article

Electron reorganization in chemical reactions. structural changes from the analysis of bond order profiles

Ponec, R., Yuzhakov, G., & Cooper, D. L. (2003). Electron reorganization in chemical reactions. structural changes from the analysis of bond order profiles. JOURNAL OF PHYSICAL CHEMISTRY A, 107(12), 2100-2105. doi:10.1021/jp027431j

DOI
10.1021/jp027431j
Journal article

Classification of reaction pathways via momentum-space and quantum molecular similarity measures

Amat, L., Carbó-Dorca, R., Cooper, D. L., & Allan, N. L. (2003). Classification of reaction pathways via momentum-space and quantum molecular similarity measures. CHEMICAL PHYSICS LETTERS, 367(1-2), 207-213. doi:10.1016/S0009-2614(02)01701-3

DOI
10.1016/S0009-2614(02)01701-3
Journal article

Ab initio study of charge transfer in B²⁺ low-energy collisions with atomic hydrogen

Turner, A. R., Cooper, D. L., Wang, J. G., & Stancil, P. C. (2003). <i>Ab initio</i> study of charge transfer in B<SUP>2+</SUP> low-energy collisions with atomic hydrogen -: art. no. 012704. PHYSICAL REVIEW A, 68(1). doi:10.1103/PhysRevA.68.012704

DOI
10.1103/PhysRevA.68.012704
Journal article

Charge transfer of O³⁺ ions with atomic hydrogen

Wang, J. G., Stancil, P. C., Turner, A. R., & Cooper, D. L. (2003). Charge transfer of O<SUP>3+</SUP> ions with atomic hydrogen -: art. no. 012710. PHYSICAL REVIEW A, 67(1). doi:10.1103/PhysRevA.67.012710

DOI
10.1103/PhysRevA.67.012710
Journal article

Valence bond theory: Determinantal methods

Sironi, M., Cooper, D. L., & Raimondi, M. (2003). Valence bond theory: Determinantal methods. In S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry (Vol. 2, pp. 140-147). Chichester: John Wiley. Retrieved from http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0471623741.html

Chapter

Valence bond theory: Other methods

Cooper, D. L. (2003). Valence bond theory: Other methods. In S. Wilson (Ed.), Handbook of Molecular Physics and Quantum Chemistry (Vol. 2, pp. 169-172). Chichester: John Wiley. Retrieved from http://eu.wiley.com/WileyCDA/WileyTitle/productCd-0471623741.html

Chapter

2002

Modern Valence Bond Description of Gas‐Phase Pericyclic Reactions

Cooper, D. L., Karadakov, P. B., & Thorsteinsson, T. (2002). Modern Valence Bond Description of Gas‐Phase Pericyclic Reactions. ChemInform, 33(51), 274. doi:10.1002/chin.200251274

DOI
10.1002/chin.200251274
Journal article

Preface: Valence bond theory

Cooper, D. L. (2002). Valence bond theory: Preface. In Unknown Book (Vol. 10).

Chapter

Electron capture in collisions of S⁴⁺ with helium

Wang, J. G., Turner, A. R., Cooper, D. L., Schultz, D. R., Rakovic, M. J., Fritsch, W., . . . Zygelman, B. (2002). Electron capture in collisions of S<SUP>4+</SUP> with helium. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 35(14), 3137-3156. doi:10.1088/0953-4075/35/14/310

DOI
10.1088/0953-4075/35/14/310
Journal article

Chapter 2 Modern Valence Bond Description of Gas-Phase Pericyclic Reactions

Cooper, D. L., Karadakov, P. B., & Thorsteinsson, T. (2002). Chapter 2 Modern Valence Bond Description of Gas-Phase Pericyclic Reactions. In Valence Bond Theory (Vol. 10, pp. 41-53). Elsevier. doi:10.1016/s1380-7323(02)80003-6

DOI
10.1016/s1380-7323(02)80003-6
Chapter

Chapter 9 Recent developments of the SCVB method

Sironi, M., Raimondi, M., Martinazzo, R., Gianturco, F. A., & Cooper, D. L. (2002). Chapter 9 Recent developments of the SCVB method. In Valence Bond Theory (Vol. 10, pp. 261-277). Elsevier. doi:10.1016/s1380-7323(02)80010-3

DOI
10.1016/s1380-7323(02)80010-3
Chapter

Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach

Cooper, D. L., Stancil, P. C., Turner, A. R., Wang, J. G., Clarke, N. J., & Zygelman, B. (2002). Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 3(3), 220-229. doi:10.3390/i3030220

DOI
10.3390/i3030220
Journal article

Modern Valence Bond Description of Gas-Phase Pericyclic Reactions

Cooper, D. L., Karadakov, P. B., & Thorsteinsson, T. (2002). Modern Valence Bond Description of Gas-Phase Pericyclic Reactions. In Theoretical and Computational Chemistry (pp. 41-53). Elsevier. doi:10.1016/s1380-7323(02)80003-6

DOI
10.1016/S1380-7323(02)80003-6
Chapter

Preface

Cooper, D. L. (2002). Preface. In Theoretical and Computational Chemistry (pp. v). Elsevier. doi:10.1016/s1380-7323(02)80001-2

DOI
10.1016/s1380-7323(02)80001-2
Chapter

Recent developments of the SCVB method

Sironi, M., Raimondi, M., Martinazzo, R., Gianturco, F. A., & Cooper, D. L. (2002). Recent developments of the SCVB method. In Theoretical and Computational Chemistry (pp. 261-277). Elsevier. doi:10.1016/s1380-7323(02)80010-3

DOI
10.1016/S1380-7323(02)80010-3
Chapter

2001

Reply to comment "Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene"

Karadakov, P. B., & Cooper, D. L. (2001). Reply to comment "Electronic reorganization in 1,3-dipolar cycloaddition of fulminic acid to acetylene". JOURNAL OF PHYSICAL CHEMISTRY A, 105(48), 10946. doi:10.1021/jp011935k

DOI
10.1021/jp011935k
Journal article

Silynes (RC identical with SiR') and Disilynes (RSi identical with SiR'): Why Are Less Bonds Worth Energetically More? The research is supported by an Israel Science Foundation (ISF) and a Niedersachsen grant (to S.S.), by a U.S.-Israel Binational Science Foundation (BSF) grant (to Y.A.) and by the Minerva Foundation. S.S. and F.O. thank the European Union for a Marie Curie Fellowship (Contract number: MCFI-1999-00145). S.S. and D.D. thank P. C. Hiberty for the helpful advice.

Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2001). Silynes (RC identical with SiR') and Disilynes (RSi identical with SiR'): Why Are Less Bonds Worth Energetically More? The research is supported by an Israel Science Foundation (ISF) and a Niedersachsen grant (to S.S.), by a U.S.-Israel Binational Science Foundation (BSF) grant (to Y.A.) and by the Minerva Foundation. S.S. and F.O. thank the European Union for a Marie Curie Fellowship (Contract number: MCFI-1999-00145). S.S. and D.D. thank P. C. Hiberty for the helpful advice. . Angewandte Chemie (International ed. in English), 40(21), 4023-4026. doi:3.0.co;2-z">10.1002/1521-3773(20011105)40:21<4023::aid-anie4023>3.0.co;2-z

DOI
10.1002/1521-3773(20011105)40:21<4023::aid-anie4023>3.0.co;2-z
Journal article

Silynes (RC≡SiR ') and disilynes (RSi≡SiR '): Why are less bonds worth energetically more?

Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2001). Silynes (RC≡SiR′) and disilynes (RSi≡SiR′):: Why are less bonds worth energetically more?. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 40(21), 4023-+. doi:3.0.CO;2-Z">10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z

DOI
10.1002/1521-3773(20011105)40:21<4023::aid-anie4023>3.0.co;2-z
Journal article

Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?

Danovich, D., Ogliaro, F., Karni, M., Apeloig, Y., Cooper, D. L., & Shaik, S. (2001). Silynes (RC≡SiR′) and Disilynes (RSi≡SiR′): Why Are Less Bonds Worth Energetically More?. Angewandte Chemie, 113(21), 4146-4150. doi:3.0.co;2-n">10.1002/1521-3757(20011105)113:21<4146::aid-ange4146>3.0.co;2-n

DOI
10.1002/1521-3757(20011105)113:21<4146::aid-ange4146>3.0.co;2-n
Journal article

Semi-empirical valence bond models of conjugated alkenes with donor and acceptor substituents

Wu, J., & Cooper, D. L. (2001). Semi-empirical valence bond models of conjugated alkenes with donor and acceptor substituents. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 3(12), 2419-2423. doi:10.1039/b101316p

DOI
10.1039/b101316p
Journal article

Electron capture in collisions of S⁴⁺ with atomic hydrogen

Stancil, P. C., Turner, A. R., Cooper, D. L., Schultz, D. R., Rakovic, M. J., Fritsch, W., & Zygelman, B. (2001). Electron capture in collisions of S<SUP>4+</SUP> with atomic hydrogen. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 34(12), 2481-2504. doi:10.1088/0953-4075/34/12/313

Journal article

Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of diazomethane to ethene

Blavins, J. J., Karadakov, P. B., & Cooper, D. L. (2001). Modern valence-bond description of chemical reaction mechanisms: The 1,3-dipolar addition of diazomethane to ethene. JOURNAL OF ORGANIC CHEMISTRY, 66(12), 4285-4292. doi:10.1021/jo015560a

DOI
10.1021/jo015560a
Journal article

Spin-coupled description of the chemical bonding to hypercoordinate chlorine

Cooper, D. L. (2001). Spin-coupled description of the chemical bonding to hypercoordinate chlorine. THEORETICAL CHEMISTRY ACCOUNTS, 105(4-5), 323-327. doi:10.1007/PL00013292

DOI
10.1007/PL00013292
Journal article

Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis

Cooper, D. L., Allan, N. L., & Karadakov, P. B. (2001). Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis. In Mathematical and Computational Chemistry (pp. 169-185). Springer US. doi:10.1007/978-1-4757-3273-3_11

DOI
10.1007/978-1-4757-3273-3_11
Chapter

Recent applications of spin-coupled valence bond theory to charge transfer collisions

Cooper, D. L., Clarke, N. J., Stancil, P. C., & Zygelman, B. (2001). Recent applications of spin-coupled valence bond theory to charge transfer collisions. ADVANCES IN QUANTUM CHEMISTRY, VOL 40: NEW PERSPECTIVES IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT 2, 40, 37-48. doi:10.1016/S0065-3276(01)40008-6

DOI
10.1016/S0065-3276(01)40008-6
Journal article

Symmetry-separated (σ+π) vs Bent-bond (Ω) Models of First-row Transition-metal Methylene Cations

Ogliaro, F., Loades, S. D., Cooper, D. L., & Karadakov, P. B. (2001). Symmetry-separated (σ+π) <i>vs</i> bent-bond (Ω) models of first-row transition-metal methylene cations. NEW TRENDS IN QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, VOL 1, 6, 281-311. Retrieved from https://www.webofscience.com/

DOI
10.1007/0-306-46951-0_15
Journal article

2000

Spin-coupled model of the bonding in first-row transition metal methylene monocations

Ogliaro, F., Loades, S. D., Cooper, D. L., & Karadakov, P. B. (2000). Spin-coupled model of the bonding in first-row transition metal methylene monocations. JOURNAL OF PHYSICAL CHEMISTRY A, 104(30), 7091-7098. doi:10.1021/jp994430r

DOI
10.1021/jp994430r
Journal article

An overview of the CASVB approach to modern valence bond calculations

Thorsteinsson, T., & Cooper, D. L. (2000). An overview of the CASVB approach to modern valence bond calculations. In A. Hernández-Laguna, J. Maruani, R. McWeeny, & S. Wilson (Eds.), Quantum Systems in Chemistry and Physics. Volume 1: Basic Problems and Model Systems. (pp. 303-326). Dordrecht: Kluwer. Retrieved from http://www.springer.com/gb/book/9780792359692

Chapter

Modern valence-bond description of the mechanisms of six-electron pericyclic reactions

Karadakov, P. B., Cooper, D. L., Thorsteinsson, T., & Gerratt, J. (2000). Modern valence-bond description of the mechanisms of six-electron pericyclic reactions. In A. Hernández-Laguna, J. Maruani, R. McWeeny, & S. Wilson (Eds.), Quantum Systems in Chemistry and Physics. Volume 1: Basic Problems and Model Systems. (pp. 327-344). Dordrecht: Kluwer. Retrieved from http://www.springer.com/gb/book/9780792359692

Chapter

1999

Hypercoordinate bonding to main group elements: the spin-coupled point of view

Cooper, D. L., Gerratt, J., & Raimondi, M. (1999). Hypercoordinate bonding to main group elements: the spin-coupled point of view. Unknown Journal, 537-553. doi:10.1016/s1380-7323(99)80022-3

DOI
10.1016/s1380-7323(99)80022-3
Journal article

The spin-coupled description of aromatic, antiaromatic and nonaromatic systems

Cooper, D. L., Gerratt, J., & Raimondi, M. (1999). The spin-coupled description of aromatic, antiaromatic and nonaromatic systems. Unknown Journal, 503-518. doi:10.1016/s1380-7323(99)80020-x

DOI
10.1016/s1380-7323(99)80020-x
Journal article

Ab initio study of charge transfer in low-energy Si³⁺ collisions with helium

Stancil, P. C., Clarke, N. J., Zygelman, B., & Cooper, D. L. (1999). <i>Ab initio</i> study of charge transfer in low-energy Si<SUP>3+</SUP> collisions with helium. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 32(6), 1523-1534. doi:10.1088/0953-4075/32/6/015

DOI
10.1088/0953-4075/32/6/015
Journal article

Ab initio modern valence bond theory

Raimondi, M., & Cooper, D. L. (1999). Ab initio modern valence bond theory. CORRELATION AND LOCALIZATION, 203, 105-120. Retrieved from https://www.webofscience.com/

Journal article

Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems

Ogliaro, F., Cooper, D. L., & Karadakov, P. B. (1999). Bent-bond versus separated-bond models: A spin-coupled survey for a few organic and inorganic systems. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 74(2), 223-229. doi:3.3.CO;2-T">10.1002/(SICI)1097-461X(1999)74:2<223::AID-QUA17>3.3.CO;2-T

DOI
10.1002/(SICI)1097-461X(1999)74:2<223::AID-QUA17>3.3.CO;2-T
Journal article

J. Gerratt, 1938-1997

Wilson, S., Raimondi, M., & Cooper, D. L. (1999). J. Gerratt, 1938-1997. International Journal of Quantum Chemistry, 74(2), 71-76. doi:3.0.co;2-5">10.1002/(sici)1097-461x(1999)74:2<71::aid-qua2>3.0.co;2-5

DOI
10.1002/(sici)1097-461x(1999)74:2<71::aid-qua2>3.0.co;2-5
Journal article

Visual Representations and Interpretations of Molecular Electronic Structure: The Survival and Re-emergence of Valence Bond Theory

Cooper, D. L. (1999). Visual Representations and Interpretations of Molecular Electronic Structure: The Survival and Re-emergence of Valence Bond Theory. In Visual Representations and Interpretations (pp. 131-138). Springer London. doi:10.1007/978-1-4471-0563-3_13

DOI
10.1007/978-1-4471-0563-3_13
Chapter

1998

Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy

Cooper, D. L., Thorsteinsson, T., & Gerratt, J. (1998). Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy. ADVANCES IN QUANTUM CHEMISTRY, VOL 32: QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT II, 32, 51-67. doi:10.1016/S0065-3276(08)60406-2

DOI
10.1016/S0065-3276(08)60406-2
Journal article

Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne

Karadakov, P. B., Cooper, D. L., & Gerratt, J. (1998). Modern valence-bond description of chemical reaction mechanisms: the 1,3-dipolar addition of fulminic acid to ethyne. THEORETICAL CHEMISTRY ACCOUNTS, 100(1-4), 222-229. doi:10.1007/s002140050383

DOI
10.1007/s002140050383
Journal article

Potential energy curves and ∂/∂R couplings for electron capture in low-energy collisions of silicon ions with helium and atomic hydrogen

Clarke, N. J., & Cooper, D. L. (1998). Potential energy curves and partial derivative/partial derivativeR couplings for electron capture in low-energy collisions of silicon ions with helium and atomic hydrogen. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(22), 3295-3299. doi:10.1039/a804819c

DOI
10.1039/a804819c
Journal article

The spin-coupled description of phenylenedimethylidene

Friis-Jensen, B., Cooper, D. L., Rettrup, S., & Karadakov, P. B. (1998). The spin-coupled description of phenylenedimethylidene. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(22), 3301-3305. doi:10.1039/a804983a

DOI
10.1039/a804983a
Journal article

Spin‐coupled Theory

Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1998). Spin‐coupled Theory. Wiley. doi:10.1002/0470845015.csa020m

DOI
10.1002/0470845015.csa020m
Chapter

Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H₂

Clarke, N. J., Sironi, M., Raimondi, M., Kumar, S., Gianturco, F. A., Buonomo, E., & Cooper, D. L. (1998). Classical and quantum dynamics on the collinear potential energy surface for the reaction of Li with H<sub>2</sub>. CHEMICAL PHYSICS, 233(1), 9-27. doi:10.1016/S0301-0104(98)00131-1

DOI
10.1016/s0301-0104(98)00131-1
Journal article

Spin-coupled description of fluorocyclophosphazenes (NPF₂)₃, (NPF₂)₄, (NPF₂)₅

Raimondi, M., Sironi, M., Gerratt, J., Cooper, D. L., & Karadakov, P. B. (1998). Spin-coupled description of fluorocyclophosphazenes (NPF<sub>2</sub>)<sub>3</sub>, (NPF<sub>2</sub>)<sub>4</sub>, (NPF<sub>2</sub>)<sub>5</sub>. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(11), 1541-1545. doi:10.1039/a708127h

DOI
10.1039/a708127h
Journal article

Modern valence-bond description of chemical reaction mechanisms:: <i>Diels-Alder</i> reaction

Karadakov, P. B., Cooper, D. L., & Gerratt, J. (1998). Modern valence-bond description of chemical reaction mechanisms:: <i>Diels-Alder</i> reaction. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 120(16), 3975-3981. doi:10.1021/ja9741741

DOI
10.1021/ja9741741
Journal article

Liquid structure of halomethanes

Mort, K. A., Johnson, K. A., Cooper, D. L., Burgess, A. N., & Howells, W. S. (1998). Liquid structure of halomethanes. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 94(6), 765-770. doi:10.1039/a707272d

DOI
10.1039/a707272d
Journal article

The biorthogonal method for optimizing modern valence bond wavefunction

THORSTEINSSON, T., & COOPER, D. (1998). The biorthogonal method for optimizing modern valence bond wavefunction. Molecular Physics, 93(4), 663-674. doi:10.1080/00268979809482252

DOI
10.1080/00268979809482252
Journal article

The biorthogonal method for optimizing modern valence bond wavefunctions

Thorsteinsson, T., & Cooper, D. L. (1998). The biorthogonal method for optimizing modern valence bond wavefunctions. MOLECULAR PHYSICS, 93(4), 663-674. doi:10.1080/002689798168998

DOI
10.1080/002689798168998
Journal article

Optimization of virtual orbitals in the framework of a multiconfiguration spin-coupled wave function

Clarke, N. J., Raimondi, M., Sironi, M., Gerratt, J., & Cooper, D. L. (1998). Optimization of virtual orbitals in the framework of a multiconfiguration spin-coupled wave function. THEORETICAL CHEMISTRY ACCOUNTS, 99(1), 8-17. doi:10.1007/s002140050297

DOI
10.1007/s002140050297
Journal article

Spin-coupled calculations based on projected spin eigenfunctions

Friis-Jensen, B., Cooper, D. L., & Rettrup, S. (1998). Spin-coupled calculations based on projected spin eigenfunctions. THEORETICAL CHEMISTRY ACCOUNTS, 99(1), 64-67. doi:10.1007/s002140050304

DOI
10.1007/s002140050304
Journal article

Ab initio study of charge transfer in low energy Si²⁺ collisions with atomic hydrogen

Clarke, N. J., Stancil, P. C., Zygelman, B., & Cooper, D. L. (1998). Ab initio study of charge transfer in low energy Si<SUP>2+</SUP> collisions with atomic hydrogen. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 31(3), 533-545. doi:10.1088/0953-4075/31/3/019

DOI
10.1088/0953-4075/31/3/019
Journal article

A quantum molecular similarity approach to anti-HIV activity

Measures, P. T., Mort, K. A., Cooper, D. L., & Allan, N. L. (1998). A quantum molecular similarity approach to anti-HIV activity. THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 423(1-2), 113-123. doi:10.1016/S0166-1280(96)05020-8

DOI
10.1016/S0166-1280(96)05020-8
Journal article

Modern valence bond descriptions of molecular excited states: An application of CASVB

Thorsteinsson, T., & Cooper, D. L. (1998). Modern valence bond descriptions of molecular excited states: An application of CASVB. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 70(4-5), 637-650. doi:3.0.CO;2-#">10.1002/(SICI)1097-461X(1998)70:4/5<637::AID-QUA10>3.0.CO;2-#

Journal article

Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB

Thorsteinsson, T., & Cooper, D. L. (1998). Nonorthogonal weights of modern VB wavefunctions. Implementation and applications within CASVB. JOURNAL OF MATHEMATICAL CHEMISTRY, 23(1-2), 105-126. doi:10.1023/A:1019100703879

DOI
10.1023/A:1019100703879
Journal article

Quantum molecular similarity via momentum-space indices

Allan, N. L., & Cooper, D. L. (1998). Quantum molecular similarity via momentum-space indices. JOURNAL OF MATHEMATICAL CHEMISTRY, 23(1-2), 51-60. doi:10.1023/A:1019165023444

DOI
10.1023/A:1019165023444
Journal article

Spin-coupled theory

Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1998). Spin-coupled theory. In P. Schleyer (Ed.), Encyclopaedia of Computational Chemistry (pp. 2672-2678). Chichester: John Wiley. Retrieved from http://www.wiley.com//legacy/wileychi/ecc/

Chapter

1997

Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: The spin-coupled viewpoint

Oliva, J. M., Gerratt, J., Karadakov, P. B., & Cooper, D. L. (1997). Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: The spin-coupled viewpoint. JOURNAL OF CHEMICAL PHYSICS, 107(21), 8917-8926. doi:10.1063/1.475183

DOI
10.1063/1.475183
Journal article

Normalization of projected spin eigenfunctions

Friis-Jensen, B., Cooper, D. L., & Rettrup, S. (1997). Normalization of projected spin eigenfunctions. JOURNAL OF MATHEMATICAL CHEMISTRY, 22(2-4), 249-254. doi:10.1023/A:1019175931196

DOI
10.1023/A:1019175931196
Journal article

Antiferromagnetic spin couplings in cyclobutadiene chains

Raos, G., McNicholas, S. J., Gerratt, J., Cooper, D. L., & Karadakov, P. B. (1997). Antiferromagnetic spin couplings in cyclobutadiene chains. JOURNAL OF PHYSICAL CHEMISTRY B, 101(34), 6688-6691. doi:10.1021/jp971345f

DOI
10.1021/jp971345f
Journal article

ChemInform Abstract: Modern Valence Bond Theory

GERRATT, J., COOPER, D. L., KARADAKOV, P. B., & RAIMONDI, M. (1997). ChemInform Abstract: Modern Valence Bond Theory. ChemInform, 28(31). doi:10.1002/chin.199731255

DOI
10.1002/chin.199731255
Journal article

Chemical bonding in oxofluorides of hypercoordinate sulfur

Cunningham, T. P., Cooper, D. L., Gerratt, J., Karadakov, P. B., & Raimondi, M. (1997). Chemical bonding in oxofluorides of hypercoordinate sulfur. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 93(13), 2247-2254. doi:10.1039/a700708f

DOI
10.1039/a700708f
Journal article

Theoretical investigation of thiophene oligomers: A spin-coupled study

Forni, A., Sironi, M., Raimondi, M., Cooper, D. L., & Gerratt, J. (1997). Theoretical investigation of thiophene oligomers: A spin-coupled study. JOURNAL OF PHYSICAL CHEMISTRY A, 101(24), 4437-4443. doi:10.1021/jp970088b

DOI
10.1021/jp970088b
Journal article

Spin-coupled valence bond study of the reaction between benzene and a methyl cation

Raos, G., Astorri, L., Raimondi, M., Cooper, D. L., Gerratt, J., & Karadakov, P. B. (1997). Spin-coupled valence bond study of the reaction between benzene and a methyl cation. JOURNAL OF PHYSICAL CHEMISTRY A, 101(15), 2886-2892. doi:10.1021/jp9629506

DOI
10.1021/jp9629506
Journal article

Study of the electronic states of the allyl radical using spin-coupled valence bond theory

Oliva, J. M., Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1997). Study of the electronic states of the allyl radical using spin-coupled valence bond theory. JOURNAL OF CHEMICAL PHYSICS, 106(9), 3663-3672. doi:10.1063/1.473460

DOI
10.1063/1.473460
Journal article

Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). Unknown Title. Molecular Engineering, 7(1/2), 67-85. doi:10.1023/a:1008270112260

DOI
10.1023/a:1008270112260
Journal article

State- and isotope-dependent charge transfer of N⁴⁺ with atomic hydrogen in astrophysical and fusion plasmas

Stancil, P. C., Zygelman, B., Clarke, N. J., & Cooper, D. L. (1997). State- and isotope-dependent charge transfer of N4+ with atomic hydrogen in astrophysical and fusion plasmas. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 30(4), 1013-1026. doi:10.1088/0953-4075/30/4/020

DOI
10.1088/0953-4075/30/4/020
Journal article

Interaction forces and energy transfer dynamics of LiH (¹Σ⁺) and helium atoms .1. The ab initio evaluation of the lowest potential energy surface

Gianturco, F. A., Kumar, S., Pathak, S. K., Raimondi, M., Sironi, M., Gerratt, J., & Cooper, D. L. (1997). Interaction forces and energy transfer dynamics of LiH ((1)Sigma(+)) and helium atoms .1. The ab initio evaluation of the lowest potential energy surface. CHEMICAL PHYSICS, 215(2), 227-238. doi:10.1016/S0301-0104(96)00264-9

DOI
10.1016/s0301-0104(96)00264-9
Journal article

The liquid structure of trifluoromethane

Mort, K. A., Johnson, K. A., Cooper, D. L., Burgess, A. N., & Howells, W. S. (1997). The liquid structure of trifluoromethane. MOLECULAR PHYSICS, 90(3), 415-424. doi:10.1080/00268979709482622

DOI
10.1080/002689797172534
Journal article

A New Approach to Valence Bond Calculations: CASVB

Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). A New Approach to Valence Bond Calculations: CASVB. In Topics in Molecular Organization and Engineering (pp. 67-85). Springer Netherlands. doi:10.1007/978-94-011-4894-8_5

DOI
10.1007/978-94-011-4894-8_5
Chapter

Ab initio study of charge transfer in low-energy collisions of Si⁴⁺ with helium

Stancil, P. C., Zygelman, B., Clarke, N. J., & Cooper, D. L. (1997). Ab initio study of charge transfer in low-energy collisions of Si4+ with helium. PHYSICAL REVIEW A, 55(2), 1064-1068. doi:10.1103/PhysRevA.55.1064

DOI
10.1103/PhysRevA.55.1064
Journal article

Ab initio study of electron capture in low-energy collisions of N⁴⁺ with hydrogen

Zygelman, B., Stancil, P. C., Clarke, N. J., & Cooper, D. L. (1997). Ab initio study of electron capture in low-energy collisions of N4+ with hydrogen. PHYSICAL REVIEW A, 56(1), 457-467. doi:10.1103/PhysRevA.56.457

DOI
10.1103/PhysRevA.56.457
Journal article

Fully variational optimization of modern VB wave functions using the CASVB strategy

Cooper, D. L., Thorsteinsson, T., & Gerratt, J. (1997). Fully variational optimization of modern VB wave functions using the CASVB strategy. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 65(5), 439-451. doi:3.3.CO;2-R">10.1002/(SICI)1097-461X(1997)65:5<439::AID-QUA8>3.3.CO;2-R

DOI
10.1002/(SICI)1097-461X(1997)65:5<439::AID-QUA8>3.3.CO;2-R
Journal article

Modern valence bond theory

Gerratt, J., Cooper, D. L., Karadakov, P. B., & Raimondi, M. (1997). Modern valence bond theory. CHEMICAL SOCIETY REVIEWS, 26(2), 87-100. doi:10.1039/cs9972600087

DOI
10.1039/cs9972600087
Journal article

Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB

Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB. THEORETICA CHIMICA ACTA, 95(3-4), 131-150. doi:10.1007/BF02341697

DOI
10.1007/BF02341697
Journal article

Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB

Thorsteinsson, T., Cooper, D. L., Gerratt, J., & Raimondi, M. (1997). Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB. Theoretica Chimica Acta, 95(3), 131. doi:10.1007/s002140050189

DOI
10.1007/s002140050189
Journal article

The electronic structure of borabenzene: Combination of an aromatic π-sextet and a reactive σ-framework

Karadakov, P. B., Ellis, M., & Gerratt, J. (1997). The electronic structure of borabenzene: Combination of an aromatic pi-sextet and a reactive sigma-framework. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 63(2), 441-449. Retrieved from https://www.webofscience.com/

DOI
10.1002/(SICI)1097-461X(1997)63:2<441::AID-QUA15>3.0.CO;2-B
Journal article

1996

Making use of how quickly electrons move in molecules

Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Making use of how quickly electrons move in molecules. CHEMICKE LISTY, 90(4), 217-228. Retrieved from https://www.webofscience.com/

Journal article

On the definitions of bond index and valence for correlated wave functions

Ponec, R., Uhlik, F., Cooper, D. L., & Jug, K. (1996). On the definitions of bond index and valence for correlated wave functions. CROATICA CHEMICA ACTA, 69(3), 933-940. Retrieved from https://www.webofscience.com/

Journal article

Chemical bonding in oxohalides of hypercoordinate nitrogen and phosphorus

Cunningham, T. P., Cooper, D. L., Gerratt, J., Karadakov, P. B., & Raimondi, M. (1996). Chemical bonding in oxohalides of hypercoordinate nitrogen and phosphorus. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 393-400. doi:3.0.CO;2-C">10.1002/(SICI)1097-461X(1996)60:1<393::AID-QUA38>3.0.CO;2-C

DOI
10.1002/(SICI)1097-461X(1996)60:1<393::AID-QUA38>3.0.CO;2-C
Journal article

Modern valence-bond description of the electronic structure of benzocyclobutadiene

Karadakov, P. B., Gerratt, J., Cooper, D. L., Raimondi, M., & Sironi, M. (1996). Modern valence-bond description of the electronic structure of benzocyclobutadiene. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 545-552. doi:3.0.CO;2-6">10.1002/(SICI)1097-461X(1996)60:1<545::AID-QUA53>3.0.CO;2-6

DOI
10.1002/(SICI)1097-461X(1996)60:1<545::AID-QUA53>3.0.CO;2-6
Journal article

Momentum-space electron densities - Localized orbitals in hydrocarbons, boranes, and transition metal complexes

Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Momentum-space electron densities - Localized orbitals in hydrocarbons, boranes, and transition metal complexes. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 579-592. doi:3.3.CO;2-L">10.1002/(SICI)1097-461X(1996)60:1<579::AID-QUA56>3.3.CO;2-L

DOI
10.1002/(SICI)1097-461X(1996)60:1<579::AID-QUA56>3.3.CO;2-L
Journal article

Optimized spin-coupled virtual orbitals

Raimondi, M., Sironi, M., Gerratt, J., & Cooper, D. L. (1996). Optimized spin-coupled virtual orbitals. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 60(1), 225-233. doi:3.0.CO;2-C">10.1002/(SICI)1097-461X(1996)60:1<225::AID-QUA24>3.0.CO;2-C

DOI
10.1002/(SICI)1097-461X(1996)60:1<225::AID-QUA24>3.0.CO;2-C
Journal article

Pair populations and effective valencies from ab initio SCF and spin-coupled wave functions

Cooper, D. L., Ponec, R., Thorsteinsson, T., & Raos, G. (1996). Pair populations and effective valencies from ab initio SCF and spin-coupled wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 57(3), 501-518. doi:3.3.CO;2-G">10.1002/(SICI)1097-461X(1996)57:3<501::AID-QUA24>3.3.CO;2-G

DOI
10.1002/(SICI)1097-461X(1996)57:3<501::AID-QUA24>3.3.CO;2-G
Journal article

A modern valence bond approach for interatomic potentials

Cooper, D. L., & Thorsteinsson, T. (1996). A modern valence bond approach for interatomic potentials. PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES, 73(1), 175-189. doi:10.1080/13642819608239123

DOI
10.1080/13642819608239123
Journal article

Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions

Thorsteinsson, T., & Cooper, D. L. (1996). Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions. THEORETICA CHIMICA ACTA, 94(4), 233-245. doi:10.1007/s002140050178

DOI
10.1007/BF00186445
Journal article

Modern valence bond representations of CASSCF wavefunctions

Thorsteinsson, T., Cooper, D. L., Gerratt, J., Karadakov, P. B., & Raimondi, M. (1996). Modern valence bond representations of CASSCF wavefunctions. THEORETICA CHIMICA ACTA, 93(6), 343-366. doi:10.1007/s002140050158

DOI
10.1007/s002140050158
Journal article

Momentum-space similarity

Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Momentum-space similarity. In Advances in Molecular Similarity (pp. 61-87). Elsevier. doi:10.1016/s1873-9776(96)80006-x

DOI
10.1016/s1873-9776(96)80006-x
Chapter

Momentum-space similarity: some recent applications

Measures, P. T., Allan, N. L., & Cooper, D. L. (1996). Momentum-space similarity: some recent applications. In R. Carbó-Dorca, & P. G. Mezey (Eds.), Advances in Molecular Similarity (Vol. 1, pp. 61-87). Greenwich, CT: JAI Press. Retrieved from http://www.elsevier.com/

Chapter

The extraordinary electronic structure of N₂S₂

Gerratt, J., McNicholas, S. J., Karadakov, P. B., Sironi, M., Raimondi, M., & Cooper, D. L. (1996). The extraordinary electronic structure of N2S2. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 118(27), 6472-6476. doi:10.1021/ja953994f

DOI
10.1021/ja953994f
Journal article

1995

AROMATIC ELECTROPHILIC SUBSTITUTION - A MODERN VALENCE-BOND STUDY

RAOS, G., GERRATT, J., KARADAKOV, P. B., COOPER, D. L., & RAIMONDI, M. (1995). AROMATIC ELECTROPHILIC SUBSTITUTION - A MODERN VALENCE-BOND STUDY. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(22), 4011-4030. doi:10.1039/ft9959104011

DOI
10.1039/ft9959104011
Journal article

BONDING IN YXXY DIHALIDES AND DIHYDRIDES OF DIOXYGEN AND DISULFUR

ALLERES, D. R., COOPER, D. L., CUNNINGHAM, T. P., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1995). BONDING IN YXXY DIHALIDES AND DIHYDRIDES OF DIOXYGEN AND DISULFUR. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(19), 3357-3362. doi:10.1039/ft9959103357

DOI
10.1039/ft9959103357
Journal article

CATALYTIC CHEMISTRY OF FURAN AND THIOPHENE - AB-INITIO CALCULATIONS, USING THE SPIN-COUPLED VALENCE-BOND METHOD, OF THE INTERACTION OF FURAN AND THIOPHENE WITH A POSITIVELY CHARGED CENTER

MITCHELL, P. C. H., RAOS, G. M., KARADAKOV, P. B., GERRATT, J., & COOPER, D. L. (1995). CATALYTIC CHEMISTRY OF FURAN AND THIOPHENE - AB-INITIO CALCULATIONS, USING THE SPIN-COUPLED VALENCE-BOND METHOD, OF THE INTERACTION OF FURAN AND THIOPHENE WITH A POSITIVELY CHARGED CENTER. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(4), 749-758. doi:10.1039/ft9959100749

DOI
10.1039/ft9959100749
Journal article

MODERN VALENCE-BOND DESCRIPTION OF (CH₃)₄Li₄

COOPER, D. L., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1995). MODERN VALENCE-BOND DESCRIPTION OF (CH3)(4)LI-4. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(19), 3363-3365. doi:10.1039/ft9959103363

DOI
10.1039/ft9959103363
Journal article

MODERN VALENCE-BOND DESCRIPTION OF THE GROUND-STATE OF Li₂⁻

PETCH, B., COOPER, D. L., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1995). MODERN VALENCE-BOND DESCRIPTION OF THE GROUND-STATE OF LI-2(-). JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 91(21), 3751-3754. doi:10.1039/ft9959103751

DOI
10.1039/ft9959103751
Journal article

MODERN VALENCE-BOND DESCRIPTION OF BONDING IN STRAINED 3-MEMBERED RINGS - CYCLOPROPANE, AZIRIDINE, ETHENE OXIDE, PHOSPHIRANE AND THIIRANE

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). MODERN VALENCE-BOND DESCRIPTION OF BONDING IN STRAINED 3-MEMBERED RINGS - CYCLOPROPANE, AZIRIDINE, ETHENE OXIDE, PHOSPHIRANE AND THIIRANE. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 341, 13-24. doi:10.1016/0166-1280(95)04241-W

DOI
10.1016/0166-1280(95)04241-W
Journal article

ChemInform Abstract: The Electronic Structure of Cyclooctatetraene and the Modern Valence‐ Bond Understanding of Antiaromaticity.

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). ChemInform Abstract: The Electronic Structure of Cyclooctatetraene and the Modern Valence‐ Bond Understanding of Antiaromaticity.. ChemInform, 26(40). doi:10.1002/chin.199540037

DOI
10.1002/chin.199540037
Journal article

Applications of momentum-space similarity

MEASURES, P. T., MORT, K. A., ALLAN, N. L., & COOPER, D. L. (1995). APPLICATIONS OF MOMENTUM-SPACE SIMILARITY. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 9(4), 331-340. doi:10.1007/BF00125174

DOI
10.1007/BF00125174
Journal article

THE UNUSUAL COORDINATION OF CARBON-ATOMS IN BICYCLIC 1,6-METHANO[10]ANNULENE - A MODERN VALENCE-BOND STUDY

SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1995). THE UNUSUAL COORDINATION OF CARBON-ATOMS IN BICYCLIC 1,6-METHANO[10]ANNULENE - A MODERN VALENCE-BOND STUDY. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 338, 257-265. doi:10.1016/0166-1280(94)04065-Z

DOI
10.1016/0166-1280(94)04065-Z
Journal article

ChemInform Abstract: Study of the Electronic States of the Benzene Molecule Using Spin‐ Coupled Valence Bond Theory.

DA SILVA, E. C., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). ChemInform Abstract: Study of the Electronic States of the Benzene Molecule Using Spin‐ Coupled Valence Bond Theory.. ChemInform, 26(7). doi:10.1002/chin.199507037

DOI
10.1002/chin.199507037
Journal article

NEUTRON-DIFFRACTION PLUS MOLECULAR-DYNAMICS - A POWERFUL APPROACH FOR UNDERSTANDING LIQUID STRUCTURE

BURGESS, A. N., MORT, K. A., JOHNSON, K. A., COOPER, D. L., ROGERS, S. C., & HOWELLS, W. S. (1995). NEUTRON-DIFFRACTION PLUS MOLECULAR-DYNAMICS - A POWERFUL APPROACH FOR UNDERSTANDING LIQUID STRUCTURE. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT, 354(1), 81-86. doi:10.1016/0168-9002(94)00930-9

DOI
10.1016/0168-9002(94)00930-9
Journal article

MOMENTUM-SPACE ELECTRON-DENSITIES AND QUANTUM MOLECULAR SIMILARITY

ALLAN, N. L., & COOPER, D. L. (1995). MOMENTUM-SPACE ELECTRON-DENSITIES AND QUANTUM MOLECULAR SIMILARITY. MOLECULAR SIMILARITY I, 173, 85-111. Retrieved from https://www.webofscience.com/

Journal article

Molecular Similarity and Momentum Space

Cooper, D. L., & Allan, N. L. (1995). Molecular Similarity and Momentum Space. In Molecular Similarity and Reactivity (pp. 31-55). Springer Netherlands. doi:10.1007/978-94-015-8488-3_2

DOI
10.1007/978-94-015-8488-3_2
Chapter

POPULATION ANALYSIS OF PAIR DENSITIES - A STUDY OF BASIS SET DEPENDENCE

PONEC, R., UHLIK, F., & COOPER, D. L. (1995). POPULATION ANALYSIS OF PAIR DENSITIES - A STUDY OF BASSIS SET DEPENDENCE. CROATICA CHEMICA ACTA, 68(1), 149-155. Retrieved from https://www.webofscience.com/

Journal article

SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). SPINS - A COLLECTION OF ALGORITHMS FOR SYMBOLIC GENERATION AND TRANSFORMATION OF MANY-ELECTRON SPIN EIGENFUNCTIONS. THEORETICA CHIMICA ACTA, 90(1), 51-73. doi:10.1007/BF01119782

DOI
10.1007/BF01119782
Journal article

THE ELECTRONIC-STRUCTURE OF CYCLOOCTATETRAENE AND THE MODERN VALENCE-BOND UNDERSTANDING OF ANTIAROMATICITY

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1995). THE ELECTRONIC-STRUCTURE OF CYCLOOCTATETRAENE AND THE MODERN VALENCE-BOND UNDERSTANDING OF ANTIAROMATICITY. JOURNAL OF PHYSICAL CHEMISTRY, 99(25), 10186-10195. doi:10.1021/j100025a020

DOI
10.1021/j100025a020
Journal article

1994

SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). SPIN-COUPLED DESCRIPTION OF ORGANIC-REACTION PATHWAYS - THE CYCLOADDITION REACTION OF 2 ETHENE MOLECULES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 90(12), 1643-1651. doi:10.1039/ft9949001643

DOI
10.1039/ft9949001643
Journal article

SPIN CORRELATION IN π-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTION. II. FURTHER APPLICATIONS

RAOS, G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). SPIN CORRELATION IN PI-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTION .2. FURTHER APPLICATIONS. CHEMICAL PHYSICS, 186(2-3), 251-273. doi:10.1016/0301-0104(94)00178-2

DOI
10.1016/0301-0104(94)00178-2
Journal article

SPIN CORRELATION IN π-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTIONS. I. THEORY AND 1ST APPLICATIONS

RAOS, G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). SPIN CORRELATION IN PI-ELECTRON SYSTEMS FROM SPIN-COUPLED WAVE-FUNCTIONS .1. THEORY AND 1ST APPLICATIONS. CHEMICAL PHYSICS, 186(2-3), 233-250. doi:10.1016/0301-0104(94)00177-4

DOI
10.1016/0301-0104(94)00177-4
Journal article

SPIN-COUPLED STUDY OF THE ELECTRONIC-STRUCTURE OF POLYENYL RADICALS C₃H₅-C₉H₁₁

KARADAKOV, P. B., GERRATT, J., RAOS, G., COOPER, D. L., & RAIMONDI, M. (1994). SPIN-COUPLED STUDY OF THE ELECTRONIC-STRUCTURE OF POLYENYL RADICALS C3H5-C9H11. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(5), 2075-2084. doi:10.1021/ja00084a053

DOI
10.1021/ja00084a053
Journal article

STUDY OF THE ELECTRONIC STATES OF THE BENZENE MOLECULE USING SPIN-COUPLED VALENCE-BOND THEORY

DASILVA, E. C., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). STUDY OF THE ELECTRONIC STATES OF THE BENZENE MOLECULE USING SPIN-COUPLED VALENCE-BOND THEORY. JOURNAL OF CHEMICAL PHYSICS, 101(5), 3866-3887. doi:10.1063/1.467505

DOI
10.1063/1.467505
Journal article

THE NATURE OF THE CARBON-CARBON BONDS IN CYCLOPROPANE AND CYCLOBUTANE - A COMPARISON BASED ON SPIN-COUPLED THEORY

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). THE NATURE OF THE CARBON-CARBON BONDS IN CYCLOPROPANE AND CYCLOBUTANE - A COMPARISON BASED ON SPIN-COUPLED THEORY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(17), 7714-7721. doi:10.1021/ja00096a031

DOI
10.1021/ja00096a031
Journal article

ChemInform Abstract: Spin‐Coupled Study of the Electronic Structure of Polyenyl Radicals C3H5‐C9H11.

KARADAKOV, P. B., GERRATT, J., RAOS, G., COOPER, D. L., & RAIMONDI, M. (1994). ChemInform Abstract: Spin‐Coupled Study of the Electronic Structure of Polyenyl Radicals C3H5‐C9H11.. ChemInform, 25(28). doi:10.1002/chin.199428034

DOI
10.1002/chin.199428034
Journal article

CHEMICAL BONDING TO HYPERCOORDINATE 2ND-ROW ATOMS - D-ORBITAL PARTICIPATION VERSUS DEMOCRACY

COOPER, D. L., CUNNINGHAM, T. P., GERRATT, J., KARADAKOV, P. B., & RAIMONDI, M. (1994). CHEMICAL BONDING TO HYPERCOORDINATE 2ND-ROW ATOMS - D-ORBITAL PARTICIPATION VERSUS DEMOCRACY. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 116(10), 4414-4426. doi:10.1021/ja00089a033

DOI
10.1021/ja00089a033
Journal article

ChemInform Abstract: The Lowest Singlet and Triplet States of o‐Benzyne: Spin‐Coupled Interpretation of the Electronic Structure at CAS SCF Equilibrium Geometries.

KARADAKOV, P. B., GERRATT, J., RAOS, G., COOPER, D. L., & RAIMONDI, M. (1994). ChemInform Abstract: The Lowest Singlet and Triplet States of o‐Benzyne: Spin‐Coupled Interpretation of the Electronic Structure at CAS SCF Equilibrium Geometries.. ChemInform, 25(13). doi:10.1002/chin.199413050

DOI
10.1002/chin.199413050
Journal article

THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .1. BASIC THEORY

HYAMS, P. A., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .1. BASIC THEORY. JOURNAL OF CHEMICAL PHYSICS, 100(6), 4408-4416. doi:10.1063/1.466271

DOI
10.1063/1.466271
Journal article

THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .2. POLARIZABILITY AND MAGNETIC-SUSCEPTIBILITY OF H₂ AND LiH AS FUNCTIONS OF INTERNUCLEAR DISTANCE

HYAMS, P. A., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1994). THE CALCULATION OF MOLECULAR RESPONSE PROPERTIES USING PERTURBED SPIN-COUPLED WAVE-FUNCTIONS .2. POLARIZABILITY AND MAGNETIC-SUSCEPTIBILITY OF H-2 AND LIH AS FUNCTIONS OF INTERNUCLEAR DISTANCE. JOURNAL OF CHEMICAL PHYSICS, 100(6), 4417-4431. doi:10.1063/1.466272

DOI
10.1063/1.466272
Journal article

VIBRATIONAL LEVELS IN THE N⁴⁺+H CHARGE-TRANSFER SYSTEM

JAMIESON, M. J., COOPER, D. L., & ZYGELMAN, B. (1994). VIBRATIONAL LEVELS IN THE N-4++H CHARGE-TRANSFER SYSTEM. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 27(4), L73-L78. doi:10.1088/0953-4075/27/4/002

DOI
10.1088/0953-4075/27/4/002
Journal article

CHEMICAL-BONDS - A TOPOLOGICAL CLASSIFICATION

COOPER, D. L. (1994). CHEMICAL-BONDS - A TOPOLOGICAL CLASSIFICATION. NATURE, 371(6499), 651-652. doi:10.1038/371651a0

DOI
10.1038/371651a0
Journal article

SPIN-COUPLED VALENCE-BOND THEORY OF VAN DER WAALS SYSTEMS - APPLICATION TO LiH...He

MATIAS, M. A., RAIMONDI, M., TORNAGHI, E., COOPER, D. L., & GERRATT, J. (1994). SPIN-COUPLED VALENCE-BOND THEORY OF VAN-DER-WAALS SYSTEMS - APPLICATION TO LIH...HE. MOLECULAR PHYSICS, 83(1), 89-100. doi:10.1080/00268979400101091

DOI
10.1080/00268979400101091
Journal article

THE COULSON-FISCHER PLUS r₁₂ WAVE-FUNCTION FOR H₂

CLARKE, N. J., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1994). THE COULSON-FISCHER PLUS R(12) WAVE-FUNCTION FOR H2. MOLECULAR PHYSICS, 81(4), 921-935. doi:10.1080/00268979400100611

DOI
10.1080/00268979400100611
Journal article

1993

IONIC HALIDES AND OXIDES AT HIGH-PRESSURE - CALCULATED HUGONIOTS, ISOTHERMS AND THERMAL PRESSURES

ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., PETCH, B., & MACKRODT, W. C. (1993). IONIC HALIDES AND OXIDES AT HIGH-PRESSURE - CALCULATED HUGONIOTS, ISOTHERMS AND THERMAL PRESSURES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 89(24), 4369-4374. doi:10.1039/ft9938904369

DOI
10.1039/ft9938904369
Journal article

MOLECULAR SIMILARITY OF ANTI-HIV PHOSPHOLIPIDS

COOPER, D. L., MORT, K. A., ALLAN, N. L., KINCHINGTON, D., & MCGUIGAN, C. (1993). MOLECULAR SIMILARITY OF ANTI-HIV PHOSPHOLIPIDS. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(26), 12615-12616. doi:10.1021/ja00079a063

DOI
10.1021/ja00079a063
Journal article

BENT VERSUS σ-π BONDS IN ETHENE AND ETHYNE - THE SPIN-COUPLED POINT-OF-VIEW

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1993). BENT VERSUS SIGMA-PI-BONDS IN ETHENE AND ETHYNE - THE SPIN-COUPLED POINT-OF-VIEW. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 115(15), 6863-6869. doi:10.1021/ja00068a050

DOI
10.1021/ja00068a050
Journal article

EXPANSION OF THE SPIN-COUPLED WAVE-FUNCTION IN SLATER DETERMINANTS

COOPER, D. L., GERRATT, J., RAIMONDI, M., SIRONI, M., & THORSTEINSSON, T. (1993). EXPANSION OF THE SPIN-COUPLED WAVE-FUNCTION IN SLATER DETERMINANTS. THEORETICA CHIMICA ACTA, 85(4), 261-270. doi:10.1007/BF01129116

DOI
10.1007/BF01129116
Journal article

Electronic Structure of Atoms and Molecules

Morrison, J. C., Weiss, A. W., Kirby, K., & Cooper, D. (n.d.). Electronic Structure of Atoms and Molecules. Wiley. doi:10.1002/3527600434.eap125

DOI
10.1002/3527600434.eap125
Chapter

ON THE ROLE OF DIFFERENT SPIN BASES WITHIN SPIN-COUPLED THEORY

RAOS, G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1993). ON THE ROLE OF DIFFERENT SPIN BASES WITHIN SPIN-COUPLED THEORY. MOLECULAR PHYSICS, 79(1), 197-216. doi:10.1080/00268979300101151

DOI
10.1080/00268979300101151
Journal article

POTENTIAL CFC REPLACEMENTS - TROPHOSPHERIC LIFETIMES OF C₃ HYDROFLUOROCARBONS AND HYDROFLUOROETHERS

COOPER, D. L., CUNNINGHAM, T. P., ALLAN, N. L., & MCCULLOCH, A. (1993). POTENTIAL CFC REPLACEMENTS - TROPHOSPHERIC LIFETIMES OF C3 HYDROFLUOROCARBONS AND HYDROFLUOROETHERS. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 27(1), 117-119. doi:10.1016/0960-1686(93)90077-C

DOI
10.1016/0960-1686(93)90077-C
Journal article

Predicted lifetimes of hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs) from simple correlations

Cooper, D. L., Cunningham, T. P., Allan, N. L., & McCulloch, A. (1993). Predicted lifetimes of hydrofluorocarbons (HFCs) and hydrofluoroethers (HFEs) from simple correlations. In Kinetics and Mechanisms for the Reactions of Halogenated Organic Compounds in the Troposphere (pp. 98-103). University College Dublin.

Conference Paper

THE LOWEST SINGLET AND TRIPLET-STATES OF O-BENZYNE - SPIN-COUPLED INTERPRETATION OF THE ELECTRONIC-STRUCTURE AT CAS SCF EQUILIBRIUM GEOMETRIES

KARADAKOV, P. B., GERRATT, J., RAOS, G., COOPER, D. L., & RAIMONDI, M. (1993). THE LOWEST SINGLET AND TRIPLET-STATES OF O-BENZYNE - SPIN-COUPLED INTERPRETATION OF THE ELECTRONIC-STRUCTURE AT CAS SCF EQUILIBRIUM GEOMETRIES. ISRAEL JOURNAL OF CHEMISTRY, 33(3), 253-264. Retrieved from https://www.webofscience.com/

Journal article

1992

CHEMICAL BONDING TO LITHIUM CLUSTERS - INTERACTION OF Li₅ WITH H-ATOMS

RAIMONDI, M., TORNAGHI, E., COOPER, D. L., & GERRATT, J. (1992). CHEMICAL BONDING TO LITHIUM CLUSTERS - INTERACTION OF LI-5 WITH H-ATOMS. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 88(16), 2309-2314. doi:10.1039/ft9928802309

DOI
10.1039/ft9928802309
Journal article

CORE-VALENCE SEPARATION IN THE SPIN-COUPLED WAVE-FUNCTION - A FULLY VARIATIONAL TREATMENT BASED ON A 2ND-ORDER CONSTRAINED OPTIMIZATION PROCEDURE

KARADAKOV, P. B., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1992). CORE-VALENCE SEPARATION IN THE SPIN-COUPLED WAVE-FUNCTION - A FULLY VARIATIONAL TREATMENT BASED ON A 2ND-ORDER CONSTRAINED OPTIMIZATION PROCEDURE. JOURNAL OF CHEMICAL PHYSICS, 97(10), 7637-7655. doi:10.1063/1.463484

DOI
10.1063/1.463484
Journal article

A MOMENTUM-SPACE APPROACH TO MOLECULAR SIMILARITY

ALLAN, N. L., & COOPER, D. L. (1992). A MOMENTUM-SPACE APPROACH TO MOLECULAR SIMILARITY. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 32(6), 587-590. doi:10.1021/ci00010a003

DOI
10.1021/ci00010a003
Journal article

CHARGE-TRANSFER OF N⁴⁺ WITH ATOMIC-HYDROGEN

ZYGELMAN, B., COOPER, D. L., FORD, M. J., DALGARNO, A., GERRATT, J., & RAIMONDI, M. (1992). CHARGE-TRANSFER OF N-4+ WITH ATOMIC-HYDROGEN. PHYSICAL REVIEW A, 46(7), 3846-3854. doi:10.1103/PhysRevA.46.3846

DOI
10.1103/PhysRevA.46.3846
Journal article

THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .1. OPTIMAL GEOMETRICAL ARRANGEMENTS AND BODY-CENTERED-CUBIC FRAGMENTS

TORNAGHI, E., COOPER, D. L., GERRATT, J., RAIMONDI, M., & SIRONI, M. (1992). THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .1. OPTIMAL GEOMETRICAL ARRANGEMENTS AND BODY-CENTERED-CUBIC FRAGMENTS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 91, 383-410. doi:10.1016/0166-1280(92)87026-V

DOI
10.1016/0166-1280(92)87026-V
Journal article

POPULATION OF LONG-LIVED VIBRATIONAL LEVELS OF CO - I¹Σ⁻ AND D¹Δ

KIRBY, K., ROSENKRANTZ, M. E., & COOPER, D. L. (1992). POPULATION OF LONG-LIVED VIBRATIONAL LEVELS OF CO - I(1)SIGMA- AND D(1)DELTA. PHYSICAL REVIEW LETTERS, 68(26), 3865-3868. doi:10.1103/PhysRevLett.68.3865

DOI
10.1103/PhysRevLett.68.3865
Journal article

MOLECULAR DISSIMILARITY - A MOMENTUM-SPACE CRITERION

COOPER, D. L., & ALLAN, N. L. (1992). MOLECULAR DISSIMILARITY - A MOMENTUM-SPACE CRITERION. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 114(12), 4773-4776. doi:10.1021/ja00038a048

DOI
10.1021/ja00038a048
Journal article

ChemInform Abstract: Applications of Spin‐Coupled Valence Bond Theory

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1992). ChemInform Abstract: Applications of Spin‐Coupled Valence Bond Theory. ChemInform, 23(3). doi:10.1002/chin.199203323

DOI
10.1002/chin.199203323
Journal article

POLAR SOLIDS AT HIGH-PRESSURE - NAF

ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., MACKRODT, W. C., & PETCH, B. (1992). POLAR SOLIDS AT HIGH-PRESSURE - NAF. MOLECULAR SIMULATION, 9(2), 161-169. doi:10.1080/08927029208050608

DOI
10.1080/08927029208050608
Journal article

SPIN-COUPLED DESCRIPTION OF CYCLOBUTADIENE AND 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL - ANTIPAIRS

WRIGHT, S. C., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1992). SPIN-COUPLED DESCRIPTION OF CYCLOBUTADIENE AND 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL - ANTIPAIRS. JOURNAL OF PHYSICAL CHEMISTRY, 96(20), 7943-7952. doi:10.1021/j100199a024

DOI
10.1021/j100199a024
Journal article

THE CALCULATED BEHAVIOUR OF PERICLASE (MGO) AT HIGH TEMPERATURES AND PRESSURES

ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., MACKRODT, W. C., & WRIGHT, S. C. (1992). THE CALCULATED BEHAVIOUR OF PERICLASE (MGO) AT HIGH TEMPERATURES AND PRESSURES. In Shock Compression of Condensed Matter–1991 (pp. 53-56). Elsevier. doi:10.1016/b978-0-444-89732-9.50011-x

DOI
10.1016/b978-0-444-89732-9.50011-x
Chapter

TROPOSPHERIC LIFETIMES OF POTENTIAL CFC REPLACEMENTS - RATE COEFFICIENTS FOR REACTION WITH THE HYDROXYL RADICAL

COOPER, D. L., CUNNINGHAM, T. P., ALLAN, N. L., & MCCULLOCH, A. (1992). TROPOSPHERIC LIFETIMES OF POTENTIAL CFC REPLACEMENTS - RATE COEFFICIENTS FOR REACTION WITH THE HYDROXYL RADICAL. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 26(7), 1331-1334. doi:10.1016/0960-1686(92)90393-Y

DOI
10.1016/0960-1686(92)90393-Y
Journal article

1991

Ionic solids at high pressures and elevated temperatures: MgO (periclase)

ALLAN, N. L., BRAITHWAITE, M., COOPER, D. L., MACKRODT, W. C., & WRIGHT, S. C. (1991). IONIC SOLIDS AT HIGH-PRESSURES AND ELEVATED-TEMPERATURES - MGO (PERICLASE). JOURNAL OF CHEMICAL PHYSICS, 95(9), 6792-6799. doi:10.1063/1.461517

DOI
10.1063/1.461517
Journal article

Theoretical studies of fluorocarbons, hydrofluorocarbons and hydrochlorofluorocarbons

Allan, N. L., Cooper, D. L., & Powell, R. L. (1991). Theoretical studies of fluorocarbons, hydrofluorocarbons and hydrochlorofluorocarbons. In Journal of Fluorine Chemistry Vol. 54 (pp. 229). Elsevier BV. doi:10.1016/s0022-1139(00)83739-2

DOI
10.1016/s0022-1139(00)83739-2
Conference Paper

APPLICATIONS OF SPIN-COUPLED VALENCE BOND THEORY

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1991). APPLICATIONS OF SPIN-COUPLED VALENCE BOND THEORY. CHEMICAL REVIEWS, 91(5), 929-964. doi:10.1021/cr00005a014

DOI
10.1021/cr00005a014
Journal article

HYBRIDS AND BOND FORMATION - EXCURSIONS IN MOMENTUM SPACE

COOPER, D. L., LOADES, S. D., & ALLAN, N. L. (1991). HYBRIDS AND BOND FORMATION - EXCURSIONS IN MOMENTUM SPACE. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 75, 189-196. Retrieved from https://www.webofscience.com/

Journal article

ON THE BONDING IN B₂H₆ AND THE LONE PAIRS IN H₂O - THE USE OF LOCALIZED MOLECULAR-ORBITALS IN SPIN-COUPLED CALCULATIONS

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1991). ON THE BONDING IN B2H6 AND THE LONE PAIRS IN H2O - THE USE OF LOCALIZED MOLECULAR-ORBITALS IN SPIN-COUPLED CALCULATIONS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 75, 155-162. Retrieved from https://www.webofscience.com/

Journal article

THE AB-INITIO SPIN-COUPLED DESCRIPTION OF THE PROCESS HCN→CH+N

SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1991). THE AB-INITIO SPIN-COUPLED DESCRIPTION OF THE PROCESS HCN-]CH+N. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 75, 279-289. Retrieved from https://www.webofscience.com/

Journal article

ELECTRONIC-STRUCTURE OF DIBORANE AND B₃H₈⁻ - B-H-B BRIDGES AND CLOSED BBB BONDS

SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1991). ELECTRONIC-STRUCTURE OF DIBORANE AND B3H8- - B-H-B BRIDGES AND CLOSED BBB BONDS. JOURNAL OF PHYSICAL CHEMISTRY, 95(26), 10617-10623. doi:10.1021/j100179a024

DOI
10.1021/j100179a024
Journal article

THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .2. PLANAR ARRANGEMENTS OF RHOMBUS UNITS

TORNAGHI, E., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1991). THE SPIN-COUPLED DESCRIPTION OF LITHIUM CLUSTERS .2. PLANAR ARRANGEMENTS OF RHOMBUS UNITS. CROATICA CHEMICA ACTA, 64(3), 429-448. Retrieved from https://www.webofscience.com/

Journal article

1990

Corrigenda

Kubo, A., McDowell, C. A., Mavridis, A., Harrison, J. F., Cooper, D. L., Allan, N. L., & Grout, P. J. (1990). Corrigenda. Journal of the Chemical Society, Faraday Transactions, 86(9), 1625. doi:10.1039/ft9908601625

DOI
10.1039/ft9908601625
Journal article

ORGANIC-REACTIVITY - NEW LIGHT ON OLD CONCEPTS

COOPER, D. L., ROBB, M. A., & WILLIAMS, I. H. (1990). ORGANIC-REACTIVITY - NEW LIGHT ON OLD CONCEPTS. CHEMISTRY IN BRITAIN, 26(11), 1085-1089. Retrieved from https://www.webofscience.com/

Journal article

REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL - REPLY

COOPER, D. L., & ALLAN, N. L. (1990). REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL - REPLY. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 24(10), 2703. doi:10.1016/0960-1686(90)90153-E

DOI
10.1016/0960-1686(90)90153-E
Journal article

ChemInform Abstract: The Modern VB Descriptions of CH2, CH+ 2, SiH2, and SiH+ 2.

WRIGHT, S. C., COOPER, D. L., SIRONI, M., RAIMONDI, M., & GERRATT, J. (1990). ChemInform Abstract: The Modern VB Descriptions of CH2, CH+ 2, SiH2, and SiH+ 2.. ChemInform, 21(25). doi:10.1002/chin.199025051

DOI
10.1002/chin.199025051
Journal article

THEORETICAL-STUDIES OF FLUOROCARBONS .2. FLUORINE AND CHLORINE SUBSTITUTED ALKANES

COOPER, D. L., WRIGHT, S. C., ALLAN, N. L., & WINTERTON, N. (1990). THEORETICAL-STUDIES OF FLUOROCARBONS .2. FLUORINE AND CHLORINE SUBSTITUTED ALKANES. JOURNAL OF FLUORINE CHEMISTRY, 47(3), 489-507. doi:10.1016/S0022-1139(00)82401-X

DOI
10.1016/S0022-1139(00)82401-X
Journal article

Ab initio predictions for silicon analogs of astrophysically interesting molecules: SiC₂H₂, SiH₂CN, SiH₂C₂, and CH₂CSi

Cooper, D. L. (1990). <i>Ab initio</i> predictions for silicon analogs of astrophysically interesting molecules:: SiC<sub>2</sub>H<sub>2</sub>, SiH<sub>2</sub>CN, SiH<sub>2</sub>C<sub>2</sub>, and CH<sub>2</sub>CSi. ASTROPHYSICAL JOURNAL, 354(1), 229-231. doi:10.1086/168682

DOI
10.1086/168682
Journal article

A molecular catastrophe

COOPER, D. L. (1990). CHEMICAL PHYSICS - A MOLECULAR CATASTROPHE. NATURE, 346(6287), 796-797. doi:10.1038/346796a0

DOI
10.1038/346796a0
Journal article

AB INITIO SPIN-COUPLED DESCRIPTION OF THE REACTIONS CH₂(¹A₁)+H₂→CH₄ AND CH₄→CH₃(²A₁')+H

SIRONI, M., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1990). ABINITIO SPIN-COUPLED DESCRIPTION OF THE REACTIONS CH2(1A1)+H2-]CH4 AND CH4-]CH3(2A1')+H. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 112(13), 5054-5060. doi:10.1021/ja00169a009

DOI
10.1021/ja00169a009
Journal article

REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL

COOPER, D. L., ALLAN, N. L., & MCCULLOCH, A. (1990). REACTIONS OF HYDROFLUOROCARBONS AND HYDROCHLOROFLUOROCARBONS WITH THE HYDROXYL RADICAL. ATMOSPHERIC ENVIRONMENT PART A-GENERAL TOPICS, 24(9), 2417-2419. doi:10.1016/0960-1686(90)90334-J

DOI
10.1016/0960-1686(90)90334-J
Journal article

THE MODERN VB DESCRIPTIONS OF CH₂, CH₂⁺, SiH₂, AND SiH₂⁺

WRIGHT, S. C., COOPER, D. L., SIRONI, M., RAIMONDI, M., & GERRATT, J. (1990). THE MODERN VB DESCRIPTIONS OF CH2, CH2+, SIH2, AND SIH2+. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), 369-374. doi:10.1039/p29900000369

DOI
10.1039/p29900000369
Journal article

THE PRACTICAL CALCULATION OF INTERIONIC POTENTIALS IN SOLIDS USING ELECTRON GAS THEORY

Allan, N. L., Cooper, D. L., & Mackrodt, W. C. (1990). THE PRACTICAL CALCULATION OF INTERIONIC POTENTIALS IN SOLIDS USING ELECTRON GAS THEORY. MOLECULAR SIMULATION, 4(5), 269-283. doi:10.1080/08927029008022391

DOI
10.1080/08927029008022391
Journal article

THE SPIN-COUPLED APPROACH TO ELECTRONIC STRUCTURE

Cooper, D. L., Gerratt, J., & Raimondi, M. (1990). THE SPIN-COUPLED APPROACH TO ELECTRONIC STRUCTURE. MOLECULAR SIMULATION, 4(5), 293-312. doi:10.1080/08927029008022393

DOI
10.1080/08927029008022393
Journal article

THE SPIN-COUPLED VALENCE BOND DESCRIPTION OF BENZENOID AROMATIC-MOLECULES

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1990). THE SPIN-COUPLED VALENCE BOND DESCRIPTION OF BENZENOID AROMATIC-MOLECULES. TOPICS IN CURRENT CHEMISTRY-SERIES, 153, 41-55. Retrieved from https://www.webofscience.com/

Journal article

THEORETICAL-STUDIES OF FLUOROCARBONS .1. SMALL PERFLUOROALKANE MOLECULES

COOPER, D. L., ALLAN, N. L., & POWELL, R. L. (1990). THEORETICAL-STUDIES OF FLUOROCARBONS .1. SMALL PERFLUOROALKANE MOLECULES. JOURNAL OF FLUORINE CHEMISTRY, 46(2), 317-337. doi:10.1016/S0022-1139(00)80999-9

DOI
10.1016/S0022-1139(00)80999-9
Journal article

THEORETICAL-STUDIES OF FLUOROCARBONS .3. PRIMARY, SECONDARY, TERTIARY AND QUATERNARY CENTERS

COOPER, D. L., ALLAN, N. L., & POWELL, R. L. (1990). THEORETICAL-STUDIES OF FLUOROCARBONS .3. PRIMARY, SECONDARY, TERTIARY AND QUATERNARY CENTERS. JOURNAL OF FLUORINE CHEMISTRY, 49(3), 421-432. doi:10.1016/S0022-1139(00)85036-8

DOI
10.1016/S0022-1139(00)85036-8
Journal article

The spin-coupled valence bond theory of molecular electronic structure

Gerratt, J., Cooper, D. L., & Raimondi, M. (1990). The spin-coupled valence bond theory of molecular electronic structure. In D. J. Klein, & N. Trinajstić (Eds.), Valence bond theory and chemical structure (Vol. 64, pp. 287-349). Amsterdam: Elsevier.

Chapter

1989

ELECTRONIC-STRUCTURE OF MONOMERIC METHYL-LITHIUM

PENOTTI, F. E. G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1989). ELECTRONIC-STRUCTURE OF MONOMERIC METHYL-LITHIUM. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 85, 151-156. doi:10.1039/f29898500151

DOI
10.1039/f29898500151
Journal article

MOMENTUM SPACE STUDIES OF LARGE POLYENES

COOPER, D. L., ALLAN, N. L., & GROUT, P. J. (1989). MOMENTUM SPACE STUDIES OF LARGE POLYENES. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 85, 1519-1529. doi:10.1039/f29898501519

DOI
10.1039/f29898501519
Journal article

SPIN-COUPLED VALENCE BOND STUDY OF THE LITHIUM HYDRIDE ANION

FORD, M. J., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). SPIN-COUPLED VALENCE BOND STUDY OF THE LITHIUM HYDRIDE ANION. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 85, 1713-1719. doi:10.1039/f29898501713

DOI
10.1039/f29898501713
Journal article

THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .3. A COMPARISON OF BENZENE, BORAZINE, AND BOROXINE

COOPER, D. L., WRIGHT, S. C., GERRATT, J., HYAMS, P. A., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .3. A COMPARISON OF BENZENE, BORAZINE, AND BOROXINE. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (6), 719-724. doi:10.1039/p29890000719

DOI
10.1039/p29890000719
Journal article

Ab initio studies of small fluorocarbons

Allan, N. L., Powell, R. L., & Cooper, D. L. (1989). Ab initio studies of small fluorocarbons. In Journal of Fluorine Chemistry Vol. 45 (pp. 188). Elsevier BV. doi:10.1016/s0022-1139(00)84558-3

DOI
10.1016/s0022-1139(00)84558-3
Conference Paper

A NOVEL-APPROACH TO MOLECULAR SIMILARITY

COOPER, D. L., & ALLAN, N. L. (1989). A NOVEL-APPROACH TO MOLECULAR SIMILARITY. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 3(3), 253-259. doi:10.1007/BF01533071

DOI
10.1007/BF01533071
Journal article

ChemInform Abstract: Electronic Structure of Monomeric Methyllithium

PENOTTI, F. E. G., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1989). ChemInform Abstract: Electronic Structure of Monomeric Methyllithium. ChemInform, 20(27). doi:10.1002/chin.198927053

DOI
10.1002/chin.198927053
Journal article

ChemInform Abstract: The Electronic Structure of Heteroaromatic Molecules. Part 1. Six‐Membered Rings

COOPER, D. L., WRIGHT, S. C., GERRATT, J., & RAIMONDI, M. (1989). ChemInform Abstract: The Electronic Structure of Heteroaromatic Molecules. Part 1. Six‐Membered Rings. ChemInform, 20(25). doi:10.1002/chin.198925044

DOI
10.1002/chin.198925044
Journal article

ChemInform Abstract: The Electronic Structure of Heteroaromatic Molecules. Part 2. Five‐Membered Rings

COOPER, D. L., WRIGHT, S. C., GERRATT, J., & RAIMONDI, M. (1989). ChemInform Abstract: The Electronic Structure of Heteroaromatic Molecules. Part 2. Five‐Membered Rings. ChemInform, 20(25). doi:10.1002/chin.198925045

DOI
10.1002/chin.198925045
Journal article

THEORETICAL-STUDY OF LOW-LYING ¹Σ⁺ AND ¹Π STATES OF CO .2. TRANSITION DIPOLE-MOMENTS, OSCILLATOR-STRENGTHS, AND RADIATIVE LIFETIMES

KIRBY, K., & COOPER, D. L. (1989). THEORETICAL-STUDY OF LOW-LYING 1-SIGMA+ AND 1-PI STATES OF CO .2. TRANSITION DIPOLE-MOMENTS, OSCILLATOR-STRENGTHS, AND RADIATIVE LIFETIMES. JOURNAL OF CHEMICAL PHYSICS, 90(9), 4895-4902. doi:10.1063/1.456584

DOI
10.1063/1.456584
Journal article

Erratum

Erratum (1989). Chemical Physics Letters, 155(6), 624. doi:10.1016/0009-2614(89)87485-8

DOI
10.1016/0009-2614(89)87485-8
Journal article

ON THE BONDING IN 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL

WRIGHT, S. C., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). ON THE BONDING IN 2,4-DIMETHYLENECYCLOBUTANE-1,3-DIYL. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (19), 1489-1491. doi:10.1039/c39890001489

DOI
10.1039/c39890001489
Journal article

ON THE BONDING TO TRANSITION-METAL ATOMS IN LOW OXIDATION-STATES

LOADES, S. D., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). ON THE BONDING TO TRANSITION-METAL ATOMS IN LOW OXIDATION-STATES. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (21), 1604-1606. doi:10.1039/c39890001604

DOI
10.1039/c39890001604
Journal article

THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - HYPERVALENT ATOMS

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - HYPERVALENT ATOMS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (8), 1187-1197. doi:10.1039/p29890001187

DOI
10.1039/p29890001187
Journal article

THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .1. 6-MEMBERED RINGS

COOPER, D. L., WRIGHT, S. C., GERRATT, J., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .1. 6-MEMBERED RINGS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), 255-261. doi:10.1039/p29890000255

DOI
10.1039/p29890000255
Journal article

THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .2. 5-MEMBERED RINGS

COOPER, D. L., WRIGHT, S. C., GERRATT, J., & RAIMONDI, M. (1989). THE ELECTRONIC-STRUCTURE OF HETEROAROMATIC MOLECULES .2. 5-MEMBERED RINGS. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, (3), 263-267. doi:10.1039/p29890000263

DOI
10.1039/p29890000263
Journal article

THE MODERN VALENCE BOND DESCRIPTION OF NAPHTHALENE

SIRONI, M., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1989). THE MODERN VALENCE BOND DESCRIPTION OF NAPHTHALENE. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, (11), 675-677. doi:10.1039/c39890000675

DOI
10.1039/c39890000675
Journal article

1988

THEORETICAL-STUDY OF THE (3sσ)¹Π RYDBERG STATE OF CO

COOPER, D. L., & KIRBY, K. (1988). THEORETICAL-STUDY OF THE (3S-SIGMA)PI-1 RYDBERG STATE OF CO. CHEMICAL PHYSICS LETTERS, 152(4-5), 393-396. doi:10.1016/0009-2614(88)80112-X

DOI
10.1016/0009-2614(88)80112-x
Journal article

AB INITIO GEOMETRIES FOR C₂n₊₁H,C₂n₊₁H⁺, AND C₂n₊₁H₂ SPECIES FOR n=1,2,3

COOPER, D. L., & MURPHY, S. C. (1988). ABINITIO GEOMETRIES FOR C2N+1H,C2N+1H+, AND C2N+1H2 SPECIES FOR N=1,2,3. ASTROPHYSICAL JOURNAL, 333(1), 482-490. doi:10.1086/166761

DOI
10.1086/166761
Journal article

TOPOLOGICAL PARTITIONING OF ELECTRON-DENSITIES FROM SPIN-COUPLED WAVEFUNCTIONS

COOPER, D. L., & ALLAN, N. L. (1988). TOPOLOGICAL PARTITIONING OF ELECTRON-DENSITIES FROM SPIN-COUPLED WAVEFUNCTIONS. CHEMICAL PHYSICS LETTERS, 150(3-4), 287-293. doi:10.1016/0009-2614(88)80043-5

DOI
10.1016/0009-2614(88)80043-5
Journal article

ChemInform Abstract: Electronic Structure of CH2 and the Cycloaddition Reaction of Methylene with Ethene

SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1988). ChemInform Abstract: Electronic Structure of CH2 and the Cycloaddition Reaction of Methylene with Ethene. ChemInform, 19(5). doi:10.1002/chin.198805080

DOI
10.1002/chin.198805080
Journal article

Computer-assisted learning in Chemistry

Chadwick, D. J., Cooper, D. L., Duce, P. P., Margerison, D., Walker, S. M., & Walton, T. W. (1988). Computer-assisted learning in Chemistry. In P. Barnetson (Ed.), The Research and Academic Users' Guide to the IBM Personal Computer (Vol. 2, pp. 42-59). Oxford: Oxford University Press.

Chapter

SPIN-COUPLED VALENCE BOND THEORY

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1988). SPIN-COUPLED VALENCE BOND THEORY. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 7(1), 59-80. doi:10.1080/01442358809353205

DOI
10.1080/01442358809353205
Journal article

SPIN-COUPLED VB STUDY OF THE DI-CATIONS OF METHANE, AMMONIA AND WATER

SIRONI, M., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1988). SPIN-COUPLED VB STUDY OF THE DI-CATIONS OF METHANE, AMMONIA AND WATER. MOLECULAR PHYSICS, 65(1), 251-259. doi:10.1080/00268978800101001

DOI
10.1080/00268978800101001
Journal article

THE AB INITIO SPIN-COUPLED DESCRIPTION OF METHANE - HYBRIDIZATION WITHOUT PRECONCEPTIONS

PENOTTI, F., GERRATT, J., COOPER, D. L., & RAIMONDI, M. (1988). THE AB INITIO SPIN-COUPLED DESCRIPTION OF METHANE - HYBRIDIZATION WITHOUT PRECONCEPTIONS. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 46, 421-436. Retrieved from https://www.webofscience.com/

Journal article

VALENCE BOND CALCULATIONS OF THE DEGREE OF COVALENCY IN A C-X BOND - APPLICATION TO CH₄ AND CH₃Li

HIBERTY, P. C., & COOPER, D. L. (1988). VALENCE BOND CALCULATIONS OF THE DEGREE OF COVALENCY IN A C-X BOND - APPLICATION TO CH4 AND CH3LI. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 46, 437-446. Retrieved from https://www.webofscience.com/

Journal article

1987

BOND FORMATION IN MOMENTUM SPACE

COOPER, D. L., & ALLAN, N. L. (1987). BOND FORMATION IN MOMENTUM SPACE. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83, 449-460. doi:10.1039/f29878300449

DOI
10.1039/f29878300449
Journal article

LOCAL DENSITY APPROXIMATIONS AND MOMENTUM-SPACE PROPERTIES IN LIGHT MOLECULES AND IONIC SOLIDS

ALLAN, N. L., & COOPER, D. L. (1987). LOCAL DENSITY APPROXIMATIONS AND MOMENTUM-SPACE PROPERTIES IN LIGHT MOLECULES AND IONIC SOLIDS. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83, 1675-1687. doi:10.1039/f29878301675

DOI
10.1039/f29878301675
Journal article

THE ELECTRONIC-STRUCTURE OF CH₂ AND THE CYCLOADDITION REACTION OF METHYLENE WITH ETHENE

SIRONI, M., RAIMONDI, M., COOPER, D. L., & GERRATT, J. (1987). THE ELECTRONIC-STRUCTURE OF CH2 AND THE CYCLOADDITION REACTION OF METHYLENE WITH ETHENE. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 83, 1651-1661. doi:10.1039/f29878301651

DOI
10.1039/f29878301651
Journal article

CALCULATION OF POTENTIAL-ENERGY CURVES FOR ELECTRON-CAPTURE BY C³⁺ FROM NEUTRAL LITHIUM USING SPIN-COUPLED VB THEORY

BARNARD, S. A., FORD, M. J., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1987). CALCULATION OF POTENTIAL-ENERGY CURVES FOR ELECTRON-CAPTURE BY C3+ FROM NEUTRAL LITHIUM USING SPIN-COUPLED VB THEORY. MOLECULAR PHYSICS, 61(5), 1193-1198. doi:10.1080/00268978700101731

DOI
10.1080/00268978700101731
Journal article

STUDY OF THE SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION USING SPIN-COUPLED VALENCE BOND THEORY

COOPER, D. L., GERRATT, J., RAIMONDI, M., & SIRONI, M. (1987). STUDY OF THE SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION USING SPIN-COUPLED VALENCE BOND THEORY. JOURNAL OF CHEMICAL PHYSICS, 87(3), 1666-1676. doi:10.1063/1.453230

DOI
10.1063/1.453230
Journal article

THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - SPIN-COUPLED DESCRIPTIONS OF NITRONE AND DIAZOMETHANE

COOPER, D. L., GERRATT, J., RAIMONDI, M., & WRIGHT, S. C. (1987). THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - SPIN-COUPLED DESCRIPTIONS OF NITRONE AND DIAZOMETHANE. CHEMICAL PHYSICS LETTERS, 138(4), 296-302. doi:10.1016/0009-2614(87)80387-1

DOI
10.1016/0009-2614(87)80387-1
Journal article

THEORETICAL-STUDY OF LOW-LYING ¹Σ⁺ STATES AND ¹Π STATES OF CO .1. POTENTIAL-ENERGY CURVES AND DIPOLE-MOMENTS

COOPER, D. L., & KIRBY, K. (1987). THEORETICAL-STUDY OF LOW-LYING 1-SIGMA+-STATES AND 1-PI-STATES OF CO .1. POTENTIAL-ENERGY CURVES AND DIPOLE-MOMENTS. JOURNAL OF CHEMICAL PHYSICS, 87(1), 424-432. doi:10.1063/1.453587

DOI
10.1063/1.453587
Journal article

MUTUAL NEUTRALIZATION AND CHEMIIONIZATION IN COLLISIONS OF ALKALI-METAL AND HALOGEN ATOMS

COOPER, D. L., BIENSTOCK, S., & DALGARNO, A. (1987). MUTUAL NEUTRALIZATION AND CHEMIIONIZATION IN COLLISIONS OF ALKALI-METAL AND HALOGEN ATOMS. JOURNAL OF CHEMICAL PHYSICS, 86(7), 3845-3851. doi:10.1063/1.451943

DOI
10.1063/1.451943
Journal article

THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE

GERRATT, J., RAIMONDI, M., & COOPER, D. L. (1987). THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE. NATURE, 329(6139), 492-493. doi:10.1038/329492b0

DOI
10.1038/329492b0
Journal article

THE INTERPRETATION OF BINARY (E, 2E) SPECTROSCOPY USING SPIN-COUPLED THEORY

ALLAN, N. L., COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1987). THE INTERPRETATION OF BINARY (E, 2E) SPECTROSCOPY USING SPIN-COUPLED THEORY. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 42(2), 127-148. doi:10.1016/0368-2048(87)85014-4

DOI
10.1016/0368-2048(87)85014-4
Journal article

1986

AB INITIO INVESTIGATION OF LOW-LYING ²Σ⁺ AND ²Π STATES OF NO²⁺

COOPER, D. L. (1986). ABINITIO INVESTIGATION OF LOW-LYING SIGMA-(2)+ AND PI-2 STATES OF NO2+. CHEMICAL PHYSICS LETTERS, 132(4-5), 377-382. doi:10.1016/0009-2614(86)80629-7

DOI
10.1016/0009-2614(86)80629-7
Journal article

THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1986). THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE. NATURE, 323(6090), 699-701. doi:10.1038/323699a0

DOI
10.1038/323699a0
Journal article

POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B⁺(¹S,³P) WITH H₂ USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1986). POTENTIAL-ENERGY SURFACES FOR THE REACTION OF B+(S-1,P-3) WITH H2 USING SPIN-COUPLED VB THEORY - ASYMPTOTIC REGIONS OF THE SURFACES. CHEMICAL PHYSICS LETTERS, 127(6), 600-608. doi:10.1016/0009-2614(86)80616-9

DOI
10.1016/0009-2614(86)80616-9
Journal article

MOMENTUM SPACE PROPERTIES AND LOCAL DENSITY APPROXIMATIONS IN SMALL MOLECULES - A CRITICAL-APPRAISAL

ALLAN, N. L., & COOPER, D. L. (1986). MOMENTUM SPACE PROPERTIES AND LOCAL DENSITY APPROXIMATIONS IN SMALL MOLECULES - A CRITICAL-APPRAISAL. JOURNAL OF CHEMICAL PHYSICS, 84(10), 5594-5605. doi:10.1063/1.449919

DOI
10.1063/1.449919
Journal article

SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION

RICHARDSON, P. J., ELAND, J. H. D., FOURNIER, P. G., & COOPER, D. L. (1986). SPECTRUM AND DECAY OF THE DOUBLY CHARGED WATER ION. JOURNAL OF CHEMICAL PHYSICS, 84(6), 3189-3194. doi:10.1063/1.450808

DOI
10.1063/1.450808
Journal article

AB INITIO VALENCE-BOND THEORY

RAIMONDI, M., GERRATT, J., & COOPER, D. L. (1986). ABINITIO VALENCE-BOND THEORY. PHYSICAL REVIEW A, 34(1), 673. doi:10.1103/PhysRevA.34.673

DOI
10.1103/PhysRevA.34.673
Journal article

CALCULATION OF POTENTIAL-ENERGY CURVES FOR THE PROCESS C³⁺(²L)+H(¹S)→C²⁺(nl n'l' ¹L)+H⁺ USING SPIN-COUPLED VALENCE-BOND THEORY

COOPER, D. L., FORD, M. J., GERRATT, J., & RAIMONDI, M. (1986). CALCULATION OF POTENTIAL-ENERGY CURVES FOR THE PROCESS C-3+(2L)+H(1S) -] C-2+ (NLN'L'-1L)+H+ USING SPIN-COUPLED VALENCE-BOND THEORY. PHYSICAL REVIEW A, 34(3), 1752-1756. doi:10.1103/PhysRevA.34.1752

DOI
10.1103/PhysRevA.34.1752
Journal article

1985

On the accuracy of the Breit-Pauli approximation for fine-structure intervals in light atoms: significance for molecular calculations

Cooper, D. L., Hata, J., & Grant, I. P. (1985). On the accuracy of the Breit-Pauli approximation for fine-structure intervals in light atoms: significance for molecular calculations. Journal of Physics B: Atomic and Molecular Physics, 18(24), 4805. doi:10.1088/0022-3700/18/24/519

DOI
10.1088/0022-3700/18/24/519
Journal article

THE GRADIENT EXPANSIONS OF THE KINETIC-ENERGY AND THE MEAN MOMENTUM FOR LIGHT DIATOMIC-MOLECULES

ALLAN, N. L., WEST, C. G., COOPER, D. L., GROUT, P. J., & MARCH, N. H. (1985). THE GRADIENT EXPANSIONS OF THE KINETIC-ENERGY AND THE MEAN MOMENTUM FOR LIGHT DIATOMIC-MOLECULES. JOURNAL OF CHEMICAL PHYSICS, 83(9), 4562-4564. doi:10.1063/1.449026

DOI
10.1063/1.449026
Journal article

SPIN-COUPLED VALENCE BOND STUDY OF LOW-LYING STATES OF LiHe

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1985). SPIN-COUPLED VALENCE BOND STUDY OF LOW-LYING STATES OF LIHE. MOLECULAR PHYSICS, 56(3), 611-620. doi:10.1080/00268978500102551

DOI
10.1080/00268978500102551
Journal article

DISTRIBUTED MULTIPOLE ANALYSIS FROM CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE STRUCTURE OF HF COMPLEXES

COOPER, D. L., & STUTCHBURY, N. C. J. (1985). DISTRIBUTED MULTIPOLE ANALYSIS FROM CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE STRUCTURE OF HF COMPLEXES. CHEMICAL PHYSICS LETTERS, 120(2), 167-172. doi:10.1016/0009-2614(85)87034-2

DOI
10.1016/0009-2614(85)87034-2
Journal article

THE DIPOLE-MOMENT OF LiH(X¹Σ⁺) - SPIN-COUPLED VALENCE-BOND STUDY

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1985). THE DIPOLE-MOMENT OF LIH(X-1-SIGMA+) - SPIN-COUPLED VALENCE-BOND STUDY. CHEMICAL PHYSICS LETTERS, 118(6), 580-584. doi:10.1016/0009-2614(85)85357-4

DOI
10.1016/0009-2614(85)85357-4
Journal article

LOCAL DENSITY APPROXIMATIONS TO MOMENTS OF MOMENTUM OF DIATOMIC-MOLECULES WITH HARTREE-FOCK-ROOTHAAN QUALITY ELECTRON DISTRIBUTIONS

ALLAN, N. L., COOPER, D. L., WEST, C. G., GROUT, P. J., & MARCH, N. H. (1985). LOCAL DENSITY APPROXIMATIONS TO MOMENTS OF MOMENTUM OF DIATOMIC-MOLECULES WITH HARTREE-FOCK-ROOTHAAN QUALITY ELECTRON DISTRIBUTIONS. JOURNAL OF CHEMICAL PHYSICS, 83(1), 239-240. doi:10.1063/1.449814

DOI
10.1063/1.449814
Journal article

INCLUSION OF THE ELECTRON ANOMALY IN EFFECTIVE-HAMILTONIANS FOR PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE APPROACHES TO FINE-STRUCTURE

HATA, J., COOPER, D. L., & GRANT, I. P. (1985). INCLUSION OF THE ELECTRON ANOMALY IN EFFECTIVE-HAMILTONIANS FOR PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE APPROACHES TO FINE-STRUCTURE. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 18(10), 1907-1917. doi:10.1088/0022-3700/18/10/009

DOI
10.1088/0022-3700/18/10/009
Journal article

FINE-STRUCTURE SPLITTINGS IN THE BORON AND FLUORINE ISOELECTRONIC-SEQUENCES - COMPARISON OF PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE (MCDF-EAL) PREDICTIONS

COOPER, D. L., HATA, J., & GRANT, I. P. (1985). FINE-STRUCTURE SPLITTINGS IN THE BORON AND FLUORINE ISOELECTRONIC-SEQUENCES - COMPARISON OF PERTURBATIVE (BREIT-PAULI) AND NON-PERTURBATIVE (MCDF-EAL) PREDICTIONS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 18(6), 1081-1087. doi:10.1088/0022-3700/18/6/008

DOI
10.1088/0022-3700/18/6/008
Journal article

A 2-PHOTON PROCESS IN GASEOUS Na₂

COOPER, D. L., BARROW, R. F., VERGES, J., EFFANTIN, C., & DINCAN, J. (1985). A 2-PHOTON PROCESS IN GASEOUS NA-2. CHEMICAL PHYSICS LETTERS, 114(5-6), 483-485. doi:10.1016/0009-2614(85)85125-3

DOI
10.1016/0009-2614(85)85125-3
Journal article

MCSCF STUDY OF THE SPIN-ORBIT COUPLING IN OH (X²Πi)

COOPER, D. L. (1985). MCSCF STUDY OF THE SPIN ORBIT COUPLING IN OH (CHI-2PI-I). MOLECULAR PHYSICS, 54(2), 439-443. doi:10.1080/00268978500100341

DOI
10.1080/00268978500100341
Journal article

AB INITIO COMPUTATION OF MOLECULAR SIMILARITY

BOWENJENKINS, P. E., COOPER, D. L., & RICHARDS, W. G. (1985). ABINITIO COMPUTATION OF MOLECULAR SIMILARITY. JOURNAL OF PHYSICAL CHEMISTRY, 89(11), 2195-2197. doi:10.1021/j100257a012

DOI
10.1021/j100257a012
Journal article

1984

LASER-EXCITED FLUORESCENCE OF THE (2)¹Σu⁺ DOUBLE-MINIMUM STATE OF Na₂ STUDIED BY FOURIER-TRANSFORM SPECTROMETRY

COOPER, D. L., BARROW, R. F., VERGES, J., EFFANTIN, C., & DINCAN, J. (1984). LASER-EXCITED FLUORESCENCE OF THE (2) 1-SIGMAU+ DOUBLE-MINIMUM STATE OF NA-2 STUDIED BY FOURIER-TRANSFORM SPECTROMETRY. CANADIAN JOURNAL OF PHYSICS, 62(12), 1543-1562. doi:10.1139/p84-200

Journal article

RADIATIVE CHARGE-TRANSFER AND RADIATIVE ASSOCIATION OF HELIUM-IONS WITH NEON ATOMS

COOPER, D. L., KIRBY, K., & DALGARNO, A. (1984). RADIATIVE CHARGE-TRANSFER AND RADIATIVE ASSOCIATION OF HELIUM-IONS WITH NEON ATOMS. CANADIAN JOURNAL OF PHYSICS, 62(12), 1622-1628. doi:10.1139/p84-208

DOI
10.1139/p84-208
Journal article

STUDIES OF MOLECULAR-STATES USING SPIN-COUPLED VALENCE-BOND THEORY

COOPER, D. L., GERRATT, J., & RAIMONDI, M. (1984). STUDIES OF MOLECULAR-STATES USING SPIN-COUPLED VALENCE-BOND THEORY. FARADAY SYMPOSIA OF THE CHEMICAL SOCIETY, (19), 149-163. Retrieved from https://www.webofscience.com/

Journal article

ON THE ACCURACY OF THE BREIT-PAULI APPROXIMATION FOR FINE-STRUCTURE INTERVALS IN LIGHT-ATOMS - SIGNIFICANCE FOR MOLECULAR CALCULATIONS

COOPER, D. L., HATA, J., & GRANT, I. P. (1984). ON THE ACCURACY OF THE BREIT-PAULI APPROXIMATION FOR FINE-STRUCTURE INTERVALS IN LIGHT-ATOMS - SIGNIFICANCE FOR MOLECULAR CALCULATIONS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 17(15), L499-L503. doi:10.1088/0022-3700/17/15/003

DOI
10.1088/0022-3700/17/15/003
Journal article

THEORETICAL INVESTIGATION OF THE X²Σ⁺ AND C²Σ⁺ STATES OF BeH

COOPER, D. L. (1984). THEORETICAL INVESTIGATION OF THE X2-SIGMA+ AND C1-SIGMA+ STATES OF BEH. JOURNAL OF CHEMICAL PHYSICS, 80(5), 1961-1963. doi:10.1063/1.446957

DOI
10.1063/1.446957
Journal article

DOUBLE-MINIMUM (2)¹Σu⁺ STATE OF Na₂

VERGES, J., EFFANTIN, C., DINCAN, J., COOPER, D. L., & BARROW, R. F. (1984). DOUBLE-MINIMUM (2)1SIGMAU+-STATE OF NA2. PHYSICAL REVIEW LETTERS, 53(1), 46-47. doi:10.1103/PhysRevLett.53.46

DOI
10.1103/PhysRevLett.53.46
Journal article

ENERGY-TRANSFER IN OXYGEN HYDROGEN COLLISIONS

COOPER, D. L., YEE, J. H., & DALGARNO, A. (1984). ENERGY-TRANSFER IN OXYGEN HYDROGEN COLLISIONS. PLANETARY AND SPACE SCIENCE, 32(7), 825-830. doi:10.1016/0032-0633(84)90005-9

DOI
10.1016/0032-0633(84)90005-9
Journal article

1983

CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE ACIDITIES AND BASICITIES OF SIMPLE ALIPHATIC-ALCOHOLS AND AMINES

STUTCHBURY, N. C. J., & COOPER, D. L. (1983). CHARGE PARTITIONING BY ZERO-FLUX SURFACES - THE ACIDITIES AND BASICITIES OF SIMPLE ALIPHATIC-ALCOHOLS AND AMINES. JOURNAL OF CHEMICAL PHYSICS, 79(10), 4967-4972. doi:10.1063/1.445590

DOI
10.1063/1.445590
Journal article

THE USE OF UNIVERSAL EVEN-TEMPERED BASIS-SETS IN SPIN-COUPLED WAVEFUNCTIONS - THE ELECTRON-AFFINITY OF Li(²S)

COOPER, D. L., & GERRATT, J. (1983). THE USE OF UNIVERSAL EVEN-TEMPERED BASIS-SETS IN SPIN-COUPLED WAVEFUNCTIONS - THE ELECTRON-AFFINITY OF LI(S-2). JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 16(20), 3703-3712. doi:10.1088/0022-3700/16/20/007

DOI
10.1088/0022-3700/16/20/007
Journal article

UNIVERSAL EVEN-TEMPERED BASIS-SETS FOR NEGATIVE MOLECULAR-IONS

COOPER, D. L., & WILSON, S. (1983). UNIVERSAL EVEN-TEMPERED BASIS-SETS FOR NEGATIVE MOLECULAR-IONS. JOURNAL OF CHEMICAL PHYSICS, 78(5), 2456-2458. doi:10.1063/1.445049

DOI
10.1063/1.445049
Journal article

Ab initio spin-orbit coupling constants for potential exotic interstellar molecules

Cooper, D. L. (1983). AB initio spin-orbit coupling constants for potential exotic interstellar molecules. The Astrophysical Journal, 265, 808. doi:10.1086/160726

DOI
10.1086/160726
Journal article

THEORETICAL-STUDY OF AIH⁺ - SPIN SPLITTING, CORE POLARIZATION, AND INTERSTELLAR CHEMISTRY

COOPER, D. L., BLACK, J. H., EVERARD, M. A. L., & RICHARDS, W. G. (1983). THEORETICAL-STUDY OF AIH+ - SPIN SPLITTING, CORE POLARIZATION, AND INTERSTELLAR CHEMISTRY. JOURNAL OF CHEMICAL PHYSICS, 78(3), 1371-1376. doi:10.1063/1.444876

DOI
10.1063/1.444876
Journal article

Ab initio molecular orbital calculations for chemists

Richards, W. G., & Cooper, D. L. (1983). Ab initio molecular orbital calculations for chemists. Oxford University Press, USA.

Book

1982

UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES

COOPER, D. L., & WILSON, S. (1982). UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES. JOURNAL OF CHEMICAL PHYSICS, 77(10), 5053-5057. doi:10.1063/1.443678

DOI
10.1063/1.443678
Journal article

UNIVERSAL SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES OF NEGATIVE-IONS

COOPER, D. L., & WILSON, S. (1982). UNIVERSAL SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES OF NEGATIVE-IONS. JOURNAL OF CHEMICAL PHYSICS, 77(9), 4551-4554. doi:10.1063/1.444404

DOI
10.1063/1.444404
Journal article

ChemInform Abstract: THE SPIN‐ORBIT INTERACTION IN THE Π* → N PHOSPHORESCENCE OF FORMALDEHYDE

COOPER, D. L., STUTCHBURY, N. C. J., & RICHARDS, W. G. (1982). ChemInform Abstract: THE SPIN‐ORBIT INTERACTION IN THE Π* → N PHOSPHORESCENCE OF FORMALDEHYDE. Chemischer Informationsdienst, 13(35). doi:10.1002/chin.198235059

DOI
10.1002/chin.198235059
Journal article

ABINITIO CALCULATION OF MOLECULAR SPIN-ORBIT-COUPLING CONSTANTS USING A UNIVERSAL EVEN-TEMPERED BASIS SET OF EXPONENTIAL FUNCTIONS

COOPER, D. L., & WILSON, S. (1982). ABINITIO CALCULATION OF MOLECULAR SPIN-ORBIT-COUPLING CONSTANTS USING A UNIVERSAL EVEN-TEMPERED BASIS SET OF EXPONENTIAL FUNCTIONS. JOURNAL OF CHEMICAL PHYSICS, 76(12), 6088-6090. doi:10.1063/1.442964

DOI
10.1063/1.442964
Journal article

SPIN-ORBIT COUPLING AND SPIN SPLITTING IN HeNe⁺

COOPER, D. L. (1982). SPIN ORBIT COUPLING AND SPIN SPLITTING IN HENE+. JOURNAL OF CHEMICAL PHYSICS, 76(12), 6443-6444. doi:10.1063/1.443003

DOI
10.1063/1.443003
Journal article

THE SPIN ORBIT INTERACTION IN THE π*→n PHOSPHORESCENCE OF FORMALDEHYDE

COOPER, D. L., STUTCHBURY, N. C. J., & RICHARDS, W. G. (1982). THE SPIN ORBIT INTERACTION IN THE PI-STAR-]N PHOSPHORESCENCE OF FORMALDEHYDE. JOURNAL OF CHEMICAL PHYSICS, 76(9), 4671-4672. doi:10.1063/1.443548

DOI
10.1063/1.443548
Journal article

SPIN SPLITTING IN THE X²Σ⁺ STATE OF MgH

COOPER, D. L. (1982). SPIN SPLITTING IN THE X2-SIGMA(+) STATE OF MGH. JOURNAL OF CHEMICAL PHYSICS, 76(7), 3692-3693. doi:10.1063/1.443407

DOI
10.1063/1.443407
Journal article

ACCIDENTAL PREDISSOCIATION IN LITHIUM DIMER - A THEORETICAL INVESTIGATION

COOPER, D. L., HUTSON, J. M., & UZER, T. (1982). ACCIDENTAL PREDISSOCIATION IN LITHIUM DIMER - A THEORETICAL INVESTIGATION. CHEMICAL PHYSICS LETTERS, 86(5-6), 472-476. doi:10.1016/0009-2614(82)80173-5

DOI
10.1016/0009-2614(82)80173-5
Journal article

SPIN-ORBIT-COUPLING CONSTANTS FOR THE ²E STATES OF CH₃O AND CH₃F⁺

COOPER, D. L. (1982). SPIN-ORBIT-COUPLING CONSTANTS FOR THE 2E STATES OF CH3O AND CH3F+. JOURNAL OF CHEMICAL PHYSICS, 76(5), 2765-2766. doi:10.1063/1.443228

DOI
10.1063/1.443228
Journal article

ABINITIO CALCULATION OF ATOMIC SPIN ORBIT COUPLING-CONSTANTS USING A UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE BASIS-SETS

COOPER, D. L., & WILSON, S. (1982). ABINITIO CALCULATION OF ATOMIC SPIN ORBIT COUPLING-CONSTANTS USING A UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE BASIS-SETS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 15(4), 493-501. doi:10.1088/0022-3700/15/4/002

DOI
10.1088/0022-3700/15/4/002
Journal article

1981

General discussion

Davies, P. B., Evenson, K. M., Brown, J. M., Coxon, J. A., Foster, S. C., Huston, J. M., . . . Jungen, C. (n.d.). General discussion. Faraday Discuss. Chem. Soc., 71(0), 301-368. doi:10.1039/dc9817100301

DOI
10.1039/DC9817100301
Journal article

Direct summation over vibrational levels: Λ doubling in HF⁺

HUTSON, J. M., & COOPER, D. L. (1981). DIRECT SUMMATION OVER VIBRATIONAL LEVELS - DELTA-DOUBLING IN HF+. JOURNAL OF CHEMICAL PHYSICS, 75(9), 4502-4506. doi:10.1063/1.442618

DOI
10.1063/1.442618
Journal article

Spin-orbit coupling and Λ doubling in NaAr

COOPER, D. L. (1981). SPIN-ORBIT-COUPLING AND LAMBDA-DOUBLING IN NAAR. JOURNAL OF CHEMICAL PHYSICS, 75(8), 4157-4159. doi:10.1063/1.442505

DOI
10.1063/1.442505
Journal article

2ND-ORDER AND 3RD-ORDER Λ-DOUBLING CONSTANTS IN SH

CHECKLAND, K., COOPER, D. L., & RICHARDS, W. G. (1981). 2ND-ORDER AND 3RD-ORDER LAMBDA-DOUBLING CONSTANTS IN SH. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(15), 2545-2549. doi:10.1088/0022-3700/14/15/013

DOI
10.1088/0022-3700/14/15/013
Journal article

THE NATURE OF THE A²Π STATE IN BeF - Λ-DOUBLING CONSTANTS

COOPER, D. L., PROSSER, S. J., & RICHARDS, W. G. (1981). THE NATURE OF THE A-2-PI-STATE IN BEF - LAMBDA-DOUBLING CONSTANTS. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(15), L487-L489. doi:10.1088/0022-3700/14/15/003

DOI
10.1088/0022-3700/14/15/003
Journal article

THEORETICAL-STUDY OF THE HCCS RADICAL

COOPER, D. L. (1981). THEORETICAL-STUDY OF THE HCCS RADICAL. CHEMICAL PHYSICS LETTERS, 81(3), 479-480. doi:10.1016/0009-2614(81)80445-9

DOI
10.1016/0009-2614(81)80445-9
Journal article

Spin-orbit coupling in the butadiyne ion

COOPER, D. L. (1981). SPIN-ORBIT-COUPLING IN THE BUTADIYNE ION. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(12), L397-L399. doi:10.1088/0022-3700/14/12/002

DOI
10.1088/0022-3700/14/12/002
Journal article

Ab initio calculation of higher order corrections to Λ doubling and spin splitting in diatomic molecules

COOPER, D. L., & VESETH, L. (1981). ABINITIO CALCULATION OF HIGHER-ORDER CORRECTIONS TO LAMBDA- DOUBLING AND SPIN SPLITTING IN DIATOMIC-MOLECULES. JOURNAL OF CHEMICAL PHYSICS, 74(7), 3961-3964. doi:10.1063/1.441574

DOI
10.1063/1.441574
Journal article

SPIN-ORBIT-COUPLING IN CCN AND CNC

COOPER, D. L., & RICHARDS, W. G. (1981). SPIN-ORBIT-COUPLING IN CCN AND CNC. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(4), L131-L133. doi:10.1088/0022-3700/14/4/003

DOI
10.1088/0022-3700/14/4/003
Journal article

Spin splitting in BH⁺

COOPER, D. L., & RICHARDS, W. G. (1981). SPIN SPLITTING BH+. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 14(4), L127-L130. doi:10.1088/0022-3700/14/4/002

Journal article

NOBLE-GAS MOLECULAR-IONS

COOPER, D. L., & WILSON, S. (1981). NOBLE-GAS MOLECULAR-IONS. MOLECULAR PHYSICS, 44(1), 161-172. doi:10.1080/00268978100102351

DOI
10.1080/00268978100102351
Journal article

SiH: Λ doubling and "core polarization"

COOPER, D. L., & RICHARDS, W. G. (1981). SIH - LAMBDA-DOUBLING AND CORE POLARIZATION. JOURNAL OF CHEMICAL PHYSICS, 74(1), 96-98. doi:10.1063/1.440799

DOI
10.1063/1.440799
Journal article

Spin-Orbit Coupling in Molecules

Richards, W. G., Trivedi, H. P., & Cooper, D. L. (1981). Spin-Orbit Coupling in Molecules. Oxford University Press.

Book

Spin-orbit coupling effects in diatomic molecules

Cooper, D. L. (1981). Spin-orbit coupling effects in diatomic molecules. (University of Oxford).

Thesis / Dissertation

THEORETICAL STUDY OF SiO₂⁻

COOPER, D. L., & WILSON, S. (1981). THEORETICAL-STUDY OF SIO2-. MOLECULAR PHYSICS, 44(4), 799-802. doi:10.1080/00268978100102801

DOI
10.1080/00268978100102801
Journal article

1980

SPIN-ORBIT-COUPLING AND LAMBDA-DOUBLING IN LIO

COPPER, D. L., & RICHARDS, W. G. (1980). SPIN-ORBIT-COUPLING AND LAMBDA-DOUBLING IN LIO. JOURNAL OF CHEMICAL PHYSICS, 73(7), 3515-3517. doi:10.1063/1.440512

DOI
10.1063/1.440512
Journal article

SPIN DOUBLING IN CaH

COOPER, D. L., & RICHARDS, W. G. (1980). SPIN DOUBLING IN CAH. JOURNAL OF CHEMICAL PHYSICS, 73(2), 991-992. doi:10.1063/1.440751

DOI
10.1063/1.440751
Journal article

1979

ACCURACY OF PREDICTED RADIOASTRONOMICAL FREQUENCIES AND THE SPECTRUM OF HYDROXYL

COOPER, D. L., & RICHARDS, W. G. (1979). ACCURACY OF PREDICTED RADIOASTRONOMICAL FREQUENCIES AND THE SPECTRUM OF HYDROXYL. NATURE, 278(5705), 624-625. doi:10.1038/278624a0

DOI
10.1038/278624a0
Journal article