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Density Functionals of Chemical Bonding
The behavior of electrons in general many-electronic systems throughout the density functionals of energy is reviewed. The basic physico-chemical concepts of density functional theory are employed to highlight the energy role in chemical structure while its extended influence in electronic localizat...
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| Formato: | Texto |
| Lenguaje: | English |
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Molecular Diversity Preservation International (MDPI)
2008
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2658760/ https://www.ncbi.nlm.nih.gov/pubmed/19325846 http://dx.doi.org/10.3390/ijms9061050 |