Comparison of 6-31G*-based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules

Modesto Orozco, William L. Jorgensen, F. Javier Luque. Comparison of 6-31G*-based MST/SCRF and FEP evaluations of the free energies of hydration for small neutral molecules. Journal of Computational Chemistry, 14(12):1498-1503, 1993. [doi]

Authors

Modesto Orozco

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William L. Jorgensen

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F. Javier Luque

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