GENERALIZED VALENCE BOND ORBITALS FOR DIBORANE AND OTHER MOLECULES

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Title: GENERALIZED VALENCE BOND ORBITALS FOR DIBORANE AND OTHER MOLECULES
Creators: Hay, P. Jeffrey; Hunt, W. J.; Goddard, W. A., III; Dunning, T. H., Jr.
Issue Date: 1971
Publisher: Ohio State University
Abstract: The orbitals of BH. $BH_{3}$, $B_{2}H_{6}$, CH, CF, CO, $O_{2}$, and ketene, as obtained from generalized valence bond (GVB) calculations (G1 with strong orthogonality), are presented. There is one GVB orbital per electron and hence two orbitals involved in each bond. These orbitals are uniquely determined but have shapes rather consistent with simple intuitive ideas of bonding.
Description: Author Institution: Department of Chemistry, California Institute of Technology
URI: http://hdl.handle.net/1811/8700
Other Identifiers: 1971-H-7
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