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]

@article{KinoshitaOH97,
  title = {Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm},
  author = {Masahiro Kinoshita and Yuko Okamoto and Fumio Hirata},
  year = {1997},
  doi = {10.1002/(SICI)1096-987X(19970730)18:10<1320::AID-JCC6>3.0.CO;2-P},
  url = {http://dx.doi.org/10.1002/(SICI)1096-987X(19970730)18:10<1320::AID-JCC6>3.0.CO;2-P},
  researchr = {https://researchr.org/publication/KinoshitaOH97},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {18},
  number = {10},
  pages = {1320-1326},
}