The generalized valence bond view of molecules; the BHn series

W. A. Goddard; R. J. Blint

doi:10.1016/0009-2614(72)87222-1

The generalized valence bond view of molecules; the BH_n series

W. A. Goddard
, R. J. Blint

California Institute of Technology

Research output: Contribution to journal › Article › peer-review

Abstract

The low-lying states of B, BH, BH₂, and BH₃ are analyzed in terms of the orbitals obtained from generalized valence bond (GVB) calculations. We find that the geometries, symmetries, and qualitative form of the potential surfaces can be understood in terms of simple ideas involving the atomic orbitals. These same ideas can be used in many other systems.

Original language	English
Pages (from-to)	616-622
Number of pages	7
Journal	Chemical Physics Letters
Volume	14
Issue number	5
DOIs	https://doi.org/10.1016/0009-2614(72)87222-1
Publication status	Published - 1 Jul 1972
Externally published	Yes

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title = "The generalized valence bond view of molecules; the BHn series",

abstract = "The low-lying states of B, BH, BH2, and BH3 are analyzed in terms of the orbitals obtained from generalized valence bond (GVB) calculations. We find that the geometries, symmetries, and qualitative form of the potential surfaces can be understood in terms of simple ideas involving the atomic orbitals. These same ideas can be used in many other systems.",

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AU - Blint, R. J.

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N2 - The low-lying states of B, BH, BH2, and BH3 are analyzed in terms of the orbitals obtained from generalized valence bond (GVB) calculations. We find that the geometries, symmetries, and qualitative form of the potential surfaces can be understood in terms of simple ideas involving the atomic orbitals. These same ideas can be used in many other systems.

AB - The low-lying states of B, BH, BH2, and BH3 are analyzed in terms of the orbitals obtained from generalized valence bond (GVB) calculations. We find that the geometries, symmetries, and qualitative form of the potential surfaces can be understood in terms of simple ideas involving the atomic orbitals. These same ideas can be used in many other systems.

UR - https://www.scopus.com/pages/publications/49649137050

U2 - 10.1016/0009-2614(72)87222-1

DO - 10.1016/0009-2614(72)87222-1

M3 - Article

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VL - 14

SP - 616

EP - 622

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 5

ER -

The generalized valence bond view of molecules; the BH_n series

Abstract

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