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

Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata. Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm. Journal of Computational Chemistry, 18(10):1320-1326, 1997. [doi]

Abstract

Abstract is missing.