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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. https://resolver.caltech.edu/CaltechAUTHORS:20180720-133817879

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Abstract

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1016/0009-2614(70)85147-8DOIArticle
https://www.sciencedirect.com/science/article/pii/0009261470851478PublisherArticle
ORCID:
AuthorORCID
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
Funders:
Funding AgencyGrant Number
NSFGP-6965
NSFGP-15423
NDEA FellowshipUNSPECIFIED
NSF Predoctoral FellowshipUNSPECIFIED
Alfred P. Sloan FoundationUNSPECIFIED
Other Numbering System:
Other Numbering System NameOther Numbering System ID
WAG0025
Arthur Amos Noyes Laboratory of Chemical Physics4009
Issue or Number:5
Record Number:CaltechAUTHORS:20180720-133817879
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20180720-133817879
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88073
Collection:CaltechAUTHORS
Deposited By: Donna Wrublewski
Deposited On:20 Jul 2018 21:11
Last Modified:03 Oct 2019 20:02

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