Can Density Functional Theory Be Trusted for High-Order Electric Properties? The Case of Hydrogen-Bonded Complexes.
Zalesny, Robert, Medved, Miroslav, Sitkiewicz, Sebastian, Matito, Eduard, Luis, Josep MaríaLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00139
Date:
May, 2019
File:
PDF, 1.56 MB
english, 2019