Influence of the solvent representation on vibrational entropy calculations: Generalized born versus distance-dependent dielectric model

Hannes Kopitz, Daniel A. Cashman, Stefania Pfeiffer-Marek, Holger Gohlke. Influence of the solvent representation on vibrational entropy calculations: Generalized born versus distance-dependent dielectric model. Journal of Computational Chemistry, 33(9):1004-1013, 2012. [doi]

Abstract

Abstract is missing.