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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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| Pubblicato in: | J Phys Chem Lett |
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| Autori principali: | , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical
Society
2021
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| Accesso online: | 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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