Structure, electronic and vibrational spectra and aromaticity of hemiporphyrazine and its hydrates: A density functional theory study

Journal of Molecular Structure: THEOCHEM

Volumn 906, Issue 1-3, 2009, Pages 56-62

  Zakharov, Alexander V ^a   Stryapan, Mikhail G ^a   Islyaikin, Mikhail K ^a  

^a IVANOVO STATE UNIVERSITY OF CHEMISTRY AND TECHNOLOGY   (Russian Federation)

Author keywords

Aromaticity; Density functional calculations; Electronic spectra; Hemiporphyrazine; Tautomerism; Vibrational spectra

Indexed keywords

EID: 67349234886     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.03.030     Document Type: Article

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