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Semiempirical Quantum-Chemical Methods with Orthogonalization and Dispersion Corrections
[Image: see text] We present two new semiempirical quantum-chemical methods with orthogonalization and dispersion corrections: ODM2 and ODM3 (ODMx). They employ the same electronic structure model as the OM2 and OM3 (OMx) methods, respectively. In addition, they include Grimme’s dispersion correctio...
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| Udgivet i: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2019
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| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6416713/ https://ncbi.nlm.nih.gov/pubmed/30735388 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01265 |
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