Theoretical characterization of the 1,3-diazaazulene molecule and its derivatives

Journal of Molecular Structure: THEOCHEM

Volumn 855, Issue 1-3, 2008, Pages 40-44

  Bravaya, K B ^a   Grigorenko, B L ^a   Nemukhin, A V ^a,b   Zhu, Yun Ji ^c   Zhang, Jian Ping ^c,d  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b EMANUEL INSTITUTE OF BIOCHEMICAL PHYSICS   (Russian Federation)

^c RENMIN UNIVERSITY OF CHINA   (China)

^d PEKING UNIVERSITY   (China)

Author keywords

1,3 Diazaazulene; Azulene derivatives; CASSCF; MCQDPT

Indexed keywords

EID: 41549110325     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.01.010     Document Type: Article

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