Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

Davis, Timothy D.; Maggiora, Gerald M.; Christoffersen, Ralph E.

doi:10.1021/ja00833a007

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Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

Author(s): Timothy D. Davis , Gerald M. Maggiora , Ralph E. Christoffersen

Publication date Created: December 1974

Publication date (Print): December 1974

Journal: Journal of the American Chemical Society

Publisher: American Chemical Society (ACS)

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Title: Journal of the American Chemical Society

Abbreviated Title: J. Am. Chem. Soc.

Publisher: American Chemical Society (ACS)

ISSN (Print): 0002-7863

Publication date Created: December 1974

Publication date (Print): December 1974

Volume: 96

Issue: 26

Pages: 7878-7887

Article

DOI: 10.1021/ja00833a007

SO-VID: 9332f5c2-f579-4d6f-91ca-fdcf7f5d2f10

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Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

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