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Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties
The reliable prediction of molecular properties is a vital task of computational chemistry. In recent years, density functional theory (DFT) has become a popular method for calculating molecular properties for a vast array of systems varying in size from small organic molecules to large biological c...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2581803/ https://ncbi.nlm.nih.gov/pubmed/19002267 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct600185a |
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