Characterizing the Potential Energy Surface of the Water Dimer with DFT: Failures of Some Popular Functionals for Hydrogen Bonding
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of Mississippi, University, Mississippi 38677
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0613889
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