Hybrid ab Initio QM/MM Simulation of N-Methylacetamide in Aqueous Solution
Author:
Affiliation:
1. Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp970041q
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1. Dynamics of Proteins and Nucleic Acids
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5. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
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