作者: V.A. Radzig
DOI: 10.1016/S1079-4050(06)34007-0
关键词: Chemical physics 、 Reactivity (chemistry) 、 Spectral properties 、 Surface structure 、 Materials science 、 Reactive intermediate 、 Crystallographic defect 、 Point (geometry) 、 Paramagnetism 、 Surface (mathematics) 、 Computational chemistry
摘要: Publisher Summary This chapter discusses the physico-chemical processes that occur on surface of very important material—silica. Indeed, from one hand, a set practically reactions occurs silica surface. From another this could be considered as model, and experimental data obtained for such model system can compared with theoretical results used planning new experiments. The also describes methods generating point defects, quantum-chemical modeling properties (optical, IR, ESR) defects surface, inhomogeneity stabilized comparison spectral bulk in silica, mechanisms defect rearrangement, design reactive intermediates desired structure structure, spectral, dia- paramagnetic characteristics is considered.