Comparative density functional theory study of the structures and properties of metallophthalocyanines of group IV B

Vibrational Spectroscopy

Volumn 40, Issue 2, 2006, Pages 289-298

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

^a SHANDONG UNIVERSITY   (China)

^b LIAOCHENG UNIVERSITY   (China)

Author keywords

Density functional calculations; IR spectra; Metal phthalocyaninate; Molecular orbital; Raman spectra

Indexed keywords

AMINES; GERMANIUM COMPOUNDS; INFRARED SPECTROSCOPY; METALS; MOLECULAR STRUCTURE; RAMAN SCATTERING;

DENSITY FUNCTIONAL CALCULATIONS; IR SPECTRA; METAL PHTHALOCYANINATE; MOLECULAR ORBITAL;

PROBABILITY DENSITY FUNCTION;

EID: 33644687261     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2005.11.004     Document Type: Article

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