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

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

Résumé

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.

langue originale	Anglais
Pages (de - à)	616-622
Nombre de pages	7
journal	Chemical Physics Letters
Volume	14
Numéro de publication	5
Les DOIs	https://doi.org/10.1016/0009-2614(72)87222-1
état	Publié - 1 juil. 1972
Modification externe	Oui

Accès au document

10.1016/0009-2614(72)87222-1

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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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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.

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JF - Chemical Physics Letters

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