Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria

William L. Jorgensen* and Laura L. Thomas
Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107
J. Chem. Theory Comput., 2008, 4 (6), pp 869–876
DOI: 10.1021/ct800011m
Publication Date (Web): May 9, 2008
Copyright © 2008 American Chemical Society
* Corresponding author e-mail: william.jorgensen@yale.edu.

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  • Published In Issue June 10, 2008
  • Article ASAPMay 09, 2008
  • Received: January 8, 2008

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