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Noncovalent Interactions from Models for the Møller–Plesset Adiabatic Connection

[Image: see text] Given the omnipresence of noncovalent interactions (NCIs), their accurate simulations are of crucial importance across various scientific disciplines. Here we construct accurate models for the description of NCIs by an interpolation along the Møller–Plesset adiabatic connection (MP...

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Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: Daas, Timothy J., Fabiano, Eduardo, Della Sala, Fabio, Gori-Giorgi, Paola, Vuckovic, Stefan
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2021
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8280728/
https://ncbi.nlm.nih.gov/pubmed/34003655
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.1c01157
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