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A new type of wavefunction for BH

Blint, R. J. and Goddard, W. A., III and Ladner, R. C. and Palke, W. E. (1970) A new type of wavefunction for BH. Chemical Physics Letters, 5 (5). pp. 302-306. ISSN 0009-2614.

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The wavefunctions of BH have been obtained using a generalization of the valence bond and Hartree-Fock methods known as the Spin-Coupling Optimized GI (SOGI) method. The shapes of the bonding and especially the nonbonding orbitals are discussed as are several properties of the molecules.

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Goddard, W. A., III0000-0003-0097-5716
Additional Information:© 1970 Published by Elsevier B.V. Received 24 February 1970. Partially supported by grans (GP-6965 and GP-15423) from the National Science Foundation. Arthur Amos Noyes Laboratory of Chemical Physics Contribution No. 4009
Funding AgencyGrant Number
NSF Predoctoral FellowshipUNSPECIFIED
Alfred P. Sloan FoundationUNSPECIFIED
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Arthur Amos Noyes Laboratory of Chemical Physics4009
Issue or Number:5
Record Number:CaltechAUTHORS:20180720-133817879
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88073
Deposited By: Donna Wrublewski
Deposited On:20 Jul 2018 21:11
Last Modified:03 Oct 2019 20:02

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