Density Functional Theories and Coordination Chemistry
作者： C. Daniel
DOI: 10.1016/B978-0-12-409547-2.14828-0
关键词: Coordination complex 、 Analysis tools 、 Theoretical physics 、 Section (archaeology) 、 Context (language use) 、 Excited state 、 Ground state 、 Computer science
摘要: Abstract The aim of this review dedicated to molecular coordination chemistry and DFT-based methods are describe succinctly DFT, TD-DFT linear-response theories discuss the approximate exchange–correlation functionals currently used in first part section methodologies. second is devoted developments with potential for solving important issues chemistry, both electronic ground excited states properties. This completed by a concise analysis tools developed within context methods. last concludes survey describing up-to-date inspiring applications related state properties, respectively.
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