The original release of 3DRISM-HI
Cao Siqin, 2015-2019
References:
[1] Siqin Cao, Fu Kit Sheong, and Xuhui Huang, “Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules”, Journal of Chemical Physics 143, 054110 (2015)
[2] Siqin Cao, Lizhe Zhu and Xuhui Huang, 3DRISM-HI-D2MSA: an improved analytic theory to compute solvent structure around hydrophobic solutes with proper treatment of solute–solvent electrostatic interactions, Mol. Phys. 116, 1003 (2017)
[3] Siqin Cao, Kirill Konovalov, Ilona Christy Unarta and Xuhui Huang, Recent Developments in Integral Equation Theory for Solvation to Treat Density Inhomogeneity at Solute-Solvent Interface, Advanced Theory and Simulations (2019) DOI: 10.1002/adts.201900049