HF/6-31G* energy surfaces for disaccharide analogs

French, Alfred D; Kelterer, Anne-Marie; Johnson, Glenn P; Dowd, Michael K; Cramer, Christopher J.

doi:10.1002/1096-987X(20010115)22:1<65::AID-JCC7>3.0.CO;2-R

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HF/6-31G* energy surfaces for disaccharide analogs

Author(s): Alfred D. French , Anne-Marie Kelterer , Glenn P. Johnson , Michael K. Dowd , Christopher J. Cramer

Publication date (Electronic): 2000

Journal: Journal of Computational Chemistry

Publisher: Wiley

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General atomic and molecular electronic structure system

Michael Schmidt, Kim Baldridge, Jerry Boatz … (1993)

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Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

Thomas Halgren (1996)

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On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy

Sotiris Xantheas (1996)

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Journal

Title: Journal of Computational Chemistry

Abbreviated Title: J. Comput. Chem.

Publisher: Wiley

ISSN (Print): 0192-8651

ISSN (Electronic): 1096-987X

Publication date Created: January 15 2001

Publication date (Print): January 15 2001

Publication date (Electronic): 2000

Volume: 22

Issue: 1

Pages: 65-78

Article

DOI: 10.1002/1096-987X(20010115)22:1<65::AID-JCC7>3.0.CO;2-R

SO-VID: 26149ff1-e579-4b49-b803-7b41be14073a

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HF/6-31G* energy surfaces for disaccharide analogs

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Renewable Energy – Distribution Grid

Most cited references 45

General atomic and molecular electronic structure system

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy

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