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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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發表在:J Phys Chem Lett
Main Authors: Daas, Timothy J., Fabiano, Eduardo, Della Sala, Fabio, Gori-Giorgi, Paola, Vuckovic, Stefan
格式: Artigo
語言:Inglês
出版: American Chemical Society 2021
在線閱讀: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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