Introductory Lecture Computer modelling as a technique in solid state chemistry
作者： C. Richard A. Catlow , Lutz Ackermann , Robert G. Bell , Furio Corà , C—David H. Gay
DOI: 10.1039/A701964E
关键词: Transition metal 、 Microporous material 、 Solid-state chemistry 、 Computer modelling 、 Chemical physics 、 Materials science 、 Reactivity (chemistry) 、 Ionic bonding
摘要: We describe the role of computer modelling techniques in solving problems relating to both structural and dynamical properties reactivity solids. Recent illustrative examples are taken from fields microporous materials, ionic transition metal oxides molecular crystals.
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