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Density Functional Study of Structures and Electron Affinities of BrO(4)F/BrO(4)F(−)

The structures, electron affinities and bond dissociation energies of BrO(4)F/BrO(4)F(−) species have been investigated with five density functional theory (DFT) methods with DZP++ basis sets. The planar F-Br…O(2)…O(2) complexes possess (3)A′ electronic state for neutral molecule and (4)A′ state for...

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Detalles Bibliográficos
Autores principales:	Gong, Liangfa, Xiong, Jieming, Wu, Xinmin, Qi, Chuansong, Li, Wei, Guo, Wenli
Formato:	Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2009
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2738915/ https://www.ncbi.nlm.nih.gov/pubmed/19742128 http://dx.doi.org/10.3390/ijms10073128

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