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Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential
Bash, Paul A., Field, Martin J., Karplus, MartinVolume:
109
Language:
english
Journal:
Journal of the American Chemical Society
DOI:
10.1021/ja00260a028
Date:
December, 1987
File:
PDF, 1.03 MB
english, 1987