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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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Detalhes bibliográficos
Autor principal: Putz, Mihai V.
Formato: Artigo
Idioma:Inglês
Publicado em: Molecular Diversity Preservation International (MDPI) 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2658760/
https://ncbi.nlm.nih.gov/pubmed/19325846
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms9061050
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