Perspective on Free-Energy Perturbation Calculations for Chemical Equilibria

Author:

Jorgensen William L.1,Thomas Laura L.1

Affiliation:

1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Reference38 articles.

1. Statistical Mechanics of Fluid Mixtures

2. For a recent review, see:Chipot, C.; Pohorille, A.InSpringer Series in Chemical Physics, Vol. 86: Free Energy Calculations: Theory and Applications in Chemistry and Biology;Chipot, C.; Pohorille, A., Eds.Springer-Verlag:Berlin, 2007; pp33−75

3. High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

4. aJorgensen, W. L.InEncyclopedia of Computational Chemistry;Schleyer, P. v. R.; Allinger, N. L. Clark, T.; Kollman, P. A.; Schaefer, H. F., III; Schreiner, P. R., Eds.Wiley:New York, 1998; Vol.2, pp1061−1070.

5. bJorgensen, W. L.InEncyclopedia of Computational Chemistry;Schleyer, P. v. R.; Allinger, N. L. Clark, T.; Kollman, P. A.; Schaefer, H. F., III; Schreiner, P. R., Eds.Wiley:New York, 1998; Vol.2, pp1754−1763.

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