"Ab initio quantum mechanics-based free energy perturbation method ..."

M. Rami Reddy, U. C. Singh, Mark D. Erion (2007)

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DOI: 10.1002/JCC.20510

access: closed

type: Journal Article

metadata version: 2020-04-01

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M. Rami Reddy, U. C. Singh, Mark D. Erion:
Ab initio quantum mechanics-based free energy perturbation method for calculating relative solvation free energies. J. Comput. Chem. 28(2): 491-494 (2007)

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