Ab initio molecular dynamics calculations of ion hydration free energies. [electronic resource]
- The Journal of chemical physics May 2009
- 204507 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.
1089-7690
10.1063/1.3137054 doi
Binding Sites Biomechanical Phenomena Catalysis Computational Biology Models, Chemical Models, Statistical Physical Phenomena Potassium Chloride--chemistry Substrate Specificity Temperature Thermodynamics Water--chemistry