Publications
Selected publications
2024
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. (2024). Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules. In Comprehensive Computational Chemistry (pp. 354-402). Elsevier. doi:10.1016/b978-0-12-821978-2.00017-9
2023
Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations
Cooper, D. L., Penotti, F. E., & Karadakov, P. B. (2023). Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations. JOURNAL OF PHYSICAL CHEMISTRY A, 127(23), 4949-4956. doi:10.1021/acs.jpca.3c01857
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
Magnetic Shielding Analysis of Bonding in [1.1.1]Propellane
Karadakov, P. B., Stewart, B., & Cooper, D. L. (2023). Magnetic Shielding Analysis of Bonding in [1.1.1]Propellane. JOURNAL OF PHYSICAL CHEMISTRY A. doi:10.1021/acs.jpca.2c06450
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
2022
Investigating István Mayer’s “improved” definitions of bond orders and free valence for correlated singlet-state wave functions
Cooper, D. L., Ponec, R., & Karadakov, P. B. (2022). Investigating Istvan Mayer's "improved" definitions of bond orders and free valence for correlated singlet-state wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 122(8). doi:10.1002/qua.26612