On the Accuracy of QM/MM Models: A Systematic Study of Intramolecular Proton Transfer Reactions of Amino Acids in Water
Author:
Affiliation:
1. School of Chemistry, The University of New South Wales, Sydney, NSW 2052, Australia
2. Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States
Funder
Australian Research Council
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c04876
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4. An efficient local coupled cluster method for accurate thermochemistry of large systems
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