A minimum quantum chemistry CCSD(T)/CBS dataset of dimeric interaction energies for small organic functional groups
Author:
Affiliation:
1. Institute of Applied Mechanics, National Taiwan University, Taipei 10617, Taiwan
Funder
Ministry of Science and Technology, Taiwan
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0019392
Reference78 articles.
1. Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems
2. Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?
3. Water as an Active Constituent in Cell Biology
4. Intermolecular forces in biology
5. Genotoxicity of non-covalent interactions: DNA intercalators
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