Fine Tuning the Intermolecular Interactions of Water Clusters Using the Dispersion-Corrected Density Functional Theory

Dispersion-inclusive density functional theory (DFT) methods have unequivocally demonstrated improved performances with respect to standard DFT approximations for modeling large and extended molecular systems at the quantum mechanical level. Yet, in some cases, disagreements with highly accurate ref...

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Detalles Bibliográficos
Autores principales: Ferretti, Alfonso, Canal, Laura, Sorodoc, Robert A., Sinha, Sourab, Brancato, Giuseppe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180381/
https://www.ncbi.nlm.nih.gov/pubmed/37175249
http://dx.doi.org/10.3390/molecules28093834

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10180381/
https://www.ncbi.nlm.nih.gov/pubmed/37175249
http://dx.doi.org/10.3390/molecules28093834

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