An Assessment of Theoretical Methods for Nonbonded Interactions: Comparison to Complete Basis Set Limit Coupled-Cluster Potential Energy Curves for the Benzene Dimer, the Methane Dimer, Benzene−Methane, and Benzene−H2S
Author:
Affiliation:
1. Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry and College of Computing, Georgia Institute of Technology, Atlanta, Georgia, 30332-0400
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9034375
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1. Supramolecular Chemistry
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4. Measurements of Molecular Electrostatic Field Effects in Edge-to-Face Aromatic Interactions and CH-π Interactions with Implications for Protein Folding and Molecular Recognition
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