Investigating István Mayer’s “improved” definitions of bond orders and free valence for correlated singlet-state wave functions

Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules
Dunning, Jr., T. H., Cooper, D. L., Xu, L. & Karadakov, P. B., 2022, (Accepted/In press) Elsevier’s Major Reference Work on Comprehensive Computational Chemistry, Valence Bond (VB) Theory and Related Approaches. Shaik, S. & Hiberty, P. (eds.). Elsevier
Research output: Chapter in Book/Report/Conference proceeding › Chapter
Off-nucleus magnetic shielding: Theory and applications
Karadakov, P. B., 2022, (Accepted/In press) Annual Reports on NMR Spectroscopy. Webb, G. (ed.). Elsevier, Vol. 103. 39 p. (in Annual Reports on NMR Spectroscopy; vol. 103).
Research output: Chapter in Book/Report/Conference proceeding › Chapter
Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another
Galbraith, J. M., Shaik, S., Danovich, D., Braïda, B., Wu, W., Hiberty, P., Cooper, D. L., Karadakov, P. B. & Dunning, Jr., T. H., 18 Nov 2021, (E-pub ahead of print)
Comment/debate in JOURNAL OF CHEMICAL EDUCATION
Aromaticity reversals and their effect on bonding in the low-lying electronic states of cyclooctatetraene
Karadakov, P. B. & Preston, N., 22 Oct 2021, (E-pub ahead of print)
Article in Physical chemistry chemical physics : PCCP
Magnetic shielding paints an accurate and easy-to-visualize portrait of aromaticity
Karadakov, P. B. & VanVeller, B., 27 Aug 2021, (E-pub ahead of print)
Article in Chemical communications

Research output: Contribution to journal › Article › peer-review

Investigating István Mayer's “improved” definitionsof bond orders and free valence for correlated singlet-statewave functions
1.39 MB, PDF document

Author(s)

Journal	INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Date	Accepted/In press - 14 Jan 2021
Date	E-pub ahead of print (current) - 29 Jan 2021
Number of pages	8
Early online date	29/01/21
Original language	English

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