Time-dependent density functional theory studies of the electronic absorption spectra of metallophthalocyanines of group IVA

International Journal of Quantum Chemistry

Volumn 107, Issue 4, 2007, Pages 952-961

  Zhang, Yuexing ^a   Cai, Xue ^a,b   Zhang, Xianxi ^a,c   Xu, Hui ^a   Liu, Zhongqiang ^a   Jiang, Jianzhuang ^a  

^a SHANDONG UNIVERSITY   (China)

^b MUDANJIANG NORMAL UNIVERSITY   (China)

^c LIAOCHENG UNIVERSITY   (China)

Author keywords

Electronic absorption spectra; Electronic transition; Group IVA metals; Metal phthalocyaninate; TD DFT calculations

Indexed keywords

ABSORPTION SPECTROSCOPY; AMINES;

ELECTRONIC ABSORPTION SPECTRA; ELECTRONIC TRANSITION; GROUP IVA METALS; METAL PHTHALOCYANINATE; TD-DFT CALCULATIONS;

PROBABILITY DENSITY FUNCTION;

EID: 33846682698     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21215     Document Type: Article

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