Coupled Cluster Benchmarking of Large Noncovalent Complexes in L7 and S12L as Well as the C60 Dimer, DNA–Ellipticine, and HIV–Indinavir
Author:
Affiliation:
1. Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284 United States
Funder
American Chemical Society Petroleum Research Fund
Virginia Commonwealth University
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c01421
Reference103 articles.
1. Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications
2. Dispersion-Corrected Mean-Field Electronic Structure Methods
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4. Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
5. Understanding non-covalent interactions in larger molecular complexes from first principles
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