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Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
[Image: see text] Semiempirical (SE) methods can be derived from either Hartree–Fock or density functional theory by applying systematic approximations, leading to efficient computational schemes that are several orders of magnitude faster than ab initio calculations. Such numerical efficiency, in c...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4867870/ https://www.ncbi.nlm.nih.gov/pubmed/27074247 http://dx.doi.org/10.1021/acs.chemrev.5b00584 |