Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model-Reference-Cited by-同舟云学术

Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model

Published:2006-11-30 Issue:15 Volume:27 Page:1769-1780
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Curutchet Carles,Orozco Modesto,Luque F. Javier,Mennucci Benedetta,Tomasi Jacopo

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.20480/fullpdf

Reference74 articles.

1. van Gunsteren, W. F.; Weiner, P. K.; Wilkinson, A. J., Eds. Computer Simulation in Biomolecular Systems: Theoretical and Experimental Applications, Vol. 3; Kluwer: Dordrecht, 1997.

2. Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

3. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

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