Molecular structure, electronic structure and vibrational spectra of metal-free, N,N′-dideuterio, and magnesium tetrakis(thiadiazole) porphyrazines: Density functional calculations

Journal of Molecular Structure: THEOCHEM

Volumn 755, Issue 1-3, 2005, Pages 179-186

  Zhang, Xianxi ^a,b   Liu, Zhongqiang ^a   Sheng, Ning ^a   Jiang, Jianzhuang ^a  

^a SHANDONG UNIVERSITY   (China)

^b LIAOCHENG UNIVERSITY   (China)

Author keywords

DFT method; Electronic structure; Molecular structure; Tetrakis(thiadiazole)porphyrazine; Vibrational spectra

Indexed keywords

EID: 29044434811     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.029     Document Type: Article

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