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Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter 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).
e25845-e25845.
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2019)
Is the S₂N₂ ring a singlet diradical? Critical analysis of alternative valence bond descriptions.
International Journal of Quantum Chemistry, 119 (7).
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794, Karadakov, Peter B and Ponec, Robert
(2020)
Nature of the chemical bonding in D3h [MH₃M]⁺ cations (M = Be, Mg).
International Journal of Quantum Chemistry, 120 (11).
Cooper, David L ORCID: 0000-0003-0639-0794, Penotti, Fabio E and Ponec, Robert
(2017)
Reassessing spin-coupled (full generalized valence bond) descriptions of ozone using three-center bond indices.
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1116.
pp. 40-49.
Cooper, David L ORCID: 0000-0003-0639-0794, Penotti, Fabio E and Karadakov, Peter B
(2023)
Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations.
JOURNAL OF PHYSICAL CHEMISTRY A, 127 (23).
pp. 4949-4956.
Penotti, Fabio E, Cooper, David L ORCID: 0000-0003-0639-0794 and Karadakov, Peter B
(2021)
Role of Dynamical Electron Correlation in the Differences in Bonding between CaAlH<sub>3</sub> and MgAlH<sub>3</sub>.
JOURNAL OF PHYSICAL CHEMISTRY A, 125 (18).
pp. 3912-3919.