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GENERALIZED VALENCE BOND ORBITALS FOR DIBORANE AND OTHER MOLECULES

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/8700

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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
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.
URI: http://hdl.handle.net/1811/8700
Other Identifiers: 1971-H-7
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