Ab Initio Benchmark Study of (2-Pyridone)2, a Strongly Bound Doubly Hydrogen-Bonded Dimer
Author:
Affiliation:
1. Departement für Chemie und Biochemie, Universität Bern, Freiestrasse 3, CH-3012 Bern, Switzerland
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0361024
Reference74 articles.
1. Application of systematic sequences of wave functions to the water dimer
2. Benchmark calculations with correlated molecular wave functions. VII. Binding energy and structure of the HF dimer
3. Hydrogen Bond Energy of the Water Dimer
4. On the importance of the fragment relaxation energy terms in the estimation of the basis set superposition error correction to the intermolecular interaction energy
5. A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models
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