Spin-Coupled Generalized Valence Bond Theory: New Perspect i ves on the Electronic Structure of Molecules and Chemical Bonds
TH Dunning Jr, LT Xu, DL Cooper… - The Journal of …, 2021 - ACS Publications
Spin-Coupled Generalized Valence Bond (SCGVB) theory provides the foundation for a
comprehensive theory of the electronic structure of molecules. SCGVB theory offers a …
comprehensive theory of the electronic structure of molecules. SCGVB theory offers a …
New Insights into the Remarkable Difference between CH5– and SiH5–
TH Dunning Jr, LT Xu… - The Journal of Physical …, 2021 - ACS Publications
It has long been known that there is a fundamental difference in the electronic structures of
CH5–and SiH5–, two isoelectronic molecules. The former is a saddle point for the SN2 …
CH5–and SiH5–, two isoelectronic molecules. The former is a saddle point for the SN2 …
Hypervalent Bonding in the OF(a4Σ–), SF(a4Σ–), SF5/SF6, and OSF4 Species
A Kalemos - The Journal of Physical Chemistry A, 2018 - ACS Publications
Hypervalency has struggled the conventional wisdom of too many chemists for so many
years. Numerous theories and bonding models have been introduced but the so-called …
years. Numerous theories and bonding models have been introduced but the so-called …
Beyond Molecular Orbital Theory: The Impact of Generalized Valence Bond Theory in Molecular Science
TH Dunning, P Jeffrey Hay - … , and Biochemistry: From Bold Initiatives to the …, 2021 - Springer
The generalized valence bond (GVB) method was developed by William A. Goddard III in
the latter half of the 1960s. The GVB wavefunction addresses the most serious deficiencies …
the latter half of the 1960s. The GVB wavefunction addresses the most serious deficiencies …
Spin-Coupled Generalized Valence Bond Theory: An Appealing Orbital Theory of the Electronic Structure of Atoms and Molecules
T Dunning, D Cooper, L Xu, P Karadakov - 2022 - chemrxiv.org
This chapter outlines the basic elements of Spin-Coupled Generalized Valence Bond
(SCGVB) theory, including the structure of the SCGVB wavefunction as well as its …
(SCGVB) theory, including the structure of the SCGVB wavefunction as well as its …
Development of regio-, chemo-and enantiospecific halogenations via hypervalent sulfur (IV) and their application to the sustainable synthesis of enantioenriched …
F Alletto - 2021 - repository.rcsi.com
This PhD thesis describes the use of hypervalent sulfur (IV) for the development of new
synthetic methodologies to prepare much sought alkyl bromides and fluorides. In order to …
synthetic methodologies to prepare much sought alkyl bromides and fluorides. In order to …