junChS and junChS-F12 Models: Parameter-free Efficient yet Accurate Composite Schemes for Energies and Structures of Noncovalent Complexes
Author:
Affiliation:
1. Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56126 Pisa, Italy
2. Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via F. Selmi 2, I-40126 Bologna, Italy
Funder
Ministero dell???Istruzione, dell???Universit?? e della Ricerca
Universit?? di Bologna
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00869
Reference69 articles.
1. Radical–Molecule Complexes: Changing Our Perspective on the Molecular Mechanisms of Radical–Molecule Reactions and their Impact on Atmospheric Chemistry
2. Molecular complexes in close and far away
3. Noncovalent interactions in biochemistry
4. Cooperative Catalysis through Noncovalent Interactions
5. The challenge of non-covalent interactions: theory meets experiment for reconciling accuracy and interpretation
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