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Volumn 107, Issue 8, 1997, Pages 2990-2999

A study of aqueous glutamic acid using the effective fragment potential method

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Indexed keywords


EID: 0001427609     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474656     Document Type: Article
Times cited : (33)

References (32)
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    • edited by H. F. Shaefer III Plenum, New York, Chap. 1, Note that GAMESS uses inner/outer scale factors of 1.2 and 1.15 for DH's hydrogen. For the polarization functions added to this basis, the exponents used were 0.75, 0.80, and 0.85 for the d-type functions on carbon, nitrogen, and oxygen, respectively, and 1.0 for the p-type functions on hydrogen
    • T. H. Dunning, Jr. and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Shaefer III (Plenum, New York, 1977), Chap. 1, pp. 1-27. Note that GAMESS uses inner/outer scale factors of 1.2 and 1.15 for DH's hydrogen. For the polarization functions added to this basis, the exponents used were 0.75, 0.80, and 0.85 for the d-type functions on carbon, nitrogen, and oxygen, respectively, and 1.0 for the p-type functions on hydrogen.
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    • See AIP Document No. E-PAPS: E-JCPA-107-2990 for the Cartesian coordinates of all the structures solvated by ten water molecules. E-PAPS document files may be retrieved free of charge from our FTP server or from ftp.aip.org in the directory/ epaps/. For further information: e-mail: paps@aip.org or fax 516-576-2223
    • See AIP Document No. E-PAPS: E-JCPA-107-2990 for the Cartesian coordinates of all the structures solvated by ten water molecules. E-PAPS document files may be retrieved free of charge from our FTP server (http:/ /www.aip.org/epaps/epaps.html) or from ftp.aip.org in the directory/ epaps/. For further information: e-mail: paps@aip.org or fax 516-576-2223.
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