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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Detalles Bibliográficos
Autores principales: Daas, Timothy J., Fabiano, Eduardo, Della Sala, Fabio, Gori-Giorgi, Paola, Vuckovic, Stefan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8280728/
https://www.ncbi.nlm.nih.gov/pubmed/34003655
http://dx.doi.org/10.1021/acs.jpclett.1c01157

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