DFT-Investigations of Intermediates in Catalytic Reactions
作者： H. Bögel
DOI: 10.1007/978-94-010-0191-5_16
关键词: Chemistry 、 Chemical reaction 、 Catalysis 、 Organic chemistry 、 Organic molecules 、 Quantum chemical 、 Transition metal 、 Ion 、 Transition metal atoms 、 Computational chemistry
摘要: This Paper reviews results obtained with a series of theoretical investigations using sophisticated quantum chemical methods to study the interaction between unsaturated organic molecules and transition metal atoms or ions. From these calculations one can get some information about role metals during catalytic reactions.
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