Density functional theory study of 9,10-anthraquinone and its structural isomers

Dyes and Pigments

Volumn 75, Issue 2, 2007, Pages 479-482

  Nourmohammadian, Farahnaz ^a   Yavari, Issa ^b   Mohtat, Bita ^c   Shafaei, S Zia ^d  

^a INSTITUTE FOR COLOR SCIENCE AND TECHNOLOGY   (Iran)

^b TARBIAT MODARES UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

^d SHAHROOD UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Ab initio calculation; Anthraquinones; Molecular modeling; Structural isomers

Indexed keywords

DENSITY FUNCTIONAL THEORY; ISOMERS; MATHEMATICAL MODELS; MOLECULAR MODELING;

ANTHRAQUINONE; MOLECULAR ORBITAL CALCULATION; STRUCTURAL ISOMER;

BENZENE;

COMPUTER SIMULATION; DENSITY; HYDROCARBON; MOLECULAR STRUCTURE;

EID: 34248194872     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dyepig.2006.06.028     Document Type: Article

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