Free Energy Perturbation Calculations within Quantum Mechanical Methodologies
Author:
Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/0-306-46934-0_2
Reference55 articles.
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3. Aue, D. H., H. M. Webb and M. T. Bowers (1976). “A Thermodynamic Analysis of Solvation Effects on the Basiciites of Alkyamines. An Electrostatic Analysis of Subsituent Effects.” J. Am. Chem. Soc. 98: 318–329.
4. Bash, P., M. Fields and M. Karplus (1987). “Free Energy Perturbation Method for Chemical Reactions in the Condensed Phase: A Dynamical Approach Based on the Combined Quantum and Molecular Mechanical Potential.” J. Am. Chem. Soc. 109(26): 8092–8094.
5. Ben-Naim, A. and Y. Marcus (1984). “Solvation Thermodynamics of Nonionic Solutes.” J. Chem. Phys. 81: 2016–2027.
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