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Activation of Propane C-H and C-C Bonds by Gas-Phase Pt Atom: A Theoretical Study

The reaction mechanism of the gas-phase Pt atom with C(3)H(8) has been systematically investigated on the singlet and triplet potential energy surfaces at CCSD(T)//BPW91/6-311++G(d, p), Lanl2dz level. Pt atom prefers the attack of primary over secondary C-H bonds in propane. For the Pt + C(3)H(8) re...

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Detalles Bibliográficos
Autores principales:	Li, Fang-Ming, Yang, Hua-Qing, Ju, Ting-Yong, Li, Xiang-Yuan, Hu, Chang-Wei
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2012
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3430297/ https://www.ncbi.nlm.nih.gov/pubmed/22942766 http://dx.doi.org/10.3390/ijms13079278

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