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20022014
most citedHeat capacity estimators for random series path-integral methods by finite-difference schemes

62 citations · 185 across the 11 of their papers we have counts for

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physics.chem-ph2014

Hydration of Kr(aq) in dilute and concentrated solutions

M. I. Chaudhari, D. Sabo, L. R. Pratt +1

Molecular dynamics simulations of water with both multi-Kr and single Kr atomic solutes are carried out to implement quasi-chemical theory evaluation of the hydration free energy o…

physics.chem-ph2013

Case study of Rb+(aq), quasi-chemical theory of ion hydration, and the no split occupancies rule

D. Sabo, D. Jiao, S. Varma +2

Quasi-chemical theory applied to ion hydration combines statistical mechanical theory, electronic structure calculations, and molecular simulation, disciplines which are individual…