A Cost Effective Scheme for the Highly Accurate Description of Intermolecular Binding in Large Complexes

There has been a growing interest in quantitative predictions of the intermolecular binding energy of large complexes. One of the most important quantum chemical techniques capable of such predictions is the domain-based local pair natural orbital (DLPNO) scheme for the coupled cluster theory with s...

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Detalles Bibliográficos
Autores principales: Czernek, Jiří, Brus, Jiří, Czerneková, Vladimíra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9780852/
https://www.ncbi.nlm.nih.gov/pubmed/36555413
http://dx.doi.org/10.3390/ijms232415773

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9780852/
https://www.ncbi.nlm.nih.gov/pubmed/36555413
http://dx.doi.org/10.3390/ijms232415773

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