Toward a Physically Motivated Force Field: Hydrogen Bond Directionality from a Symmetry-Adapted Perturbation Theory Perspective
Author:
Affiliation:
1. Institut für Physikalische und Theoretische Chemie, Universität Würzburg, Campus Hubland Nord, Emil-Fischer-Strasse 42, D-97074 Würzburg, Germany
Funder
Deutsche Forschungsgemeinschaft
Volkswagen Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b01057
Reference143 articles.
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4. Transferable ab Initio Intermolecular Potentials. 1. Derivation from Methanol Dimer and Trimer Calculations
5. Structure and vibrational dynamics of the benzene dimer
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