Ab Initio Atom–Atom Potentials Using CamCASP: Theory and Application to Many-Body Models for the Pyridine Dimer
Author:
Affiliation:
1. School of Physics and Astronomy, Queen Mary, University of London, London E1 4NS, United Kingdom
2. University Chemical Laboratory, Lensfield Road, Cambridge, CB2 1EW, United Kingdom
Funder
Engineering and Physical Sciences Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b01241
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4. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory
5. Interaction Energy Contributions of H-Bonded and Stacked Structures of the AT and GC DNA Base Pairs from the Combined Density Functional Theory and Intermolecular Perturbation Theory Approach
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