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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |