Items where authors include "Cooper, David L."

Article

Cooper, David L., Penotti, Fabio E. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2023) Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations. Journal of Physical Chemistry A. 4949–4956. ISSN 1089-5639

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Stewart, Ben and Cooper, David L. (2023) Magnetic Shielding Analysis of Bonding in [1.1.1]Propellane. Journal of Physical Chemistry A. pp. 861-869. ISSN 1089-5639

Cooper, David L., Ponec, Robert and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2022) Investigating István Mayer’s “improved” definitions of bond orders and free valence for correlated singlet-state wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. e26612. ISSN 0020-7608

Galbraith, John Morrison, Shaik, Sason, Danovich, David et al. (6 more authors) (2021) Valence Bond and Molecular Orbital : Two Powerful Theories that Nicely Complement One Another. JOURNAL OF CHEMICAL EDUCATION. pp. 3617-3620. ISSN 0021-9584

Penotti, Fabio E., Cooper, David L. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2021) The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3. Journal of Physical Chemistry A. pp. 3912-3919. ISSN 1089-5639

Dunning, Thom, Xu, Lu, Cooper, David L. et al. (1 more author) (2021) Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds. Journal of Physical Chemistry A. pp. 2021-2050. ISSN 1089-5639

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Di, Make and Cooper, David L. (2020) Excited-state Aromaticity Reversals in Möbius Annulenes. Journal of Physical Chemistry A. pp. 9611-9616. ISSN 1089-5639

Ponec, Robert, Cooper, David L. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2020) Are multicentre bond indices and related quantities reliable predictors of excited-state aromaticity? MOLECULES. 4791. ISSN 1420-3049

Penotti, Fabio E., Cooper, David L., Karadakov, Peter B. orcid.org/0000-0002-2673-6804 et al. (1 more author) (2020) Nature of the chemical bonding in D3h [MH3M]+ cations (M = Be, Mg). INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. e26183. ISSN 0020-7608

Penotti, Fabio E., Cooper, David L. and Karadakov, Peter B. orcid.org/0000-0002-2673-6804 (2019) Is the S2N2 ring a singlet diradical? Critical analysis of alternative valence bond descriptions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. e25845. ISSN 0020-7608

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Al-Yassiri, Muntadar Abd Al-Barri Hussain and Cooper, David L. (2018) Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low-Lying Electronic States of S2N2. Chemistry : A European Journal. pp. 16791-16803. ISSN 1521-3765

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Cooper, David L. (2018) Does the Electronic Structure of Möbius Annulenes Follow Heilbronner’s Ideas? ChemPhysChem. pp. 3186-3190. ISSN 1439-4235

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Cooper, David L. (2016) Modern Valence-Bond Description of Homoaromaticity. Journal of Physical Chemistry A. pp. 8769-8779. ISSN 1089-5639