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Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm

Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm

Kinoshita, Masahiro; Okamoto, Yuko; Hirata, Fumio

期刊名称Journal of Computational Chemistry
作者Kinoshita, Masahiro; Okamoto, Yuko; Hirata, Fumio
卷第18卷
期第10期
印刷ISSN0192-8651
电子ISSN1096-987X
文件大小205.01KB
发表时间1997-07-30
DOI10.1002/(sici)1096-987x(19970730)18:10<1320::aid-jcc6>3.0.co;2-p
页码1320-1326

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