Ab initio molecular orbital and density functional studies on the stable structures and vibrational properties of trans- and cis-azobenzenes

Journal of Physical Chemistry A

Volumn 104, Issue 34, 2000, Pages 8114-8120

  Kurita, Noriyuki ^a   Tanaka, Shigenori ^a   Itoht, Satoshi ^b  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b TOSHIBA CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DIFFRACTION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION;

AZOBENZENE; DENSITY FUNCTION THEORY (DFT); MOLECULAR ORBITAL CALCULATIONS; PHENYL RINGS;

BENZENE;

EID: 0034247975     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001307n     Document Type: Article

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