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Localized orbital corrections applied to thermochemical errors in density functional theory: The role of basis set and application to molecular reactions
This paper is a logical continuation of the 22 parameter, localized orbital correction (LOC) methodology that we developed in previous papers [R. A. Friesner , J. Chem. Phys. 125, 124107 (2006); E. H. Knoll and R. A. Friesner, J. Phys. Chem. B 110, 18787 (2006).] This methodology allows one to redre...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Institute of Physics
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2674791/ https://ncbi.nlm.nih.gov/pubmed/19063542 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3008062 |
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