Solvation thermodynamics: two formulations and some misunderstandings
Author:
Affiliation:
1. Departamento de Química Física y Analítica
2. Laboratorio de Química Computacional
3. Facultad de Química
4. Universidad de Oviedo
5. Julián Clavería 8. 33006 Oviedo
Abstract
The relations between conventional and Ben-Naim's formulations of solvation thermodynamics are derived and analyzed in detail.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA17305A
Reference19 articles.
1. A. Ben-Naim , Solvation Thermodynamics, Plenum, NY, 1987
2. Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis
3. See for example, Solvation Effects in Molecules and Biomolecules. Computational Methods and Applications, S. Canuto, Springer, 2009
4. See for example, Drug Design. Structure and Ligand-Based Approaches, ed. K. M. Merz jr, D. Ringe and C. H. Reynolds, Cambridge Univ. Press, 2010
5. Computational contributions to chemistry, biological chemistry and biophysical chemistry: the 2013 Nobel Prize in Chemistry
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