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Effects of excited-state structures and properties on photochemical degradation of polybrominated diphenyl ethers: A TDDFT study

✍ Scribed by Se Wang; Ce Hao; Zhanxian Gao; Jingwen Chen; Jieshan Qiu


Book ID
113532823
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
385 KB
Volume
88
Category
Article
ISSN
0045-6535

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## Abstract Molecular structure, first excited state properties and charge distribution of a series of substituted stilbazolium cations in different media are theoretically investigated. First static hyperpolarizability (β~0~) of considered compounds is studied by both finite‐field and two‐state mo