Ab initio calculation of the vibrational and electronic spectra of trans- and cis-azobenzene

Journal of the American Chemical Society

Volumn 125, Issue 32, 2003, Pages 9821-9827

  Fliegl, Heike ^a   Köhn, Andreas ^a   Hättig, Christof ^b   Ahlrichs, Reinhart ^a  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON DIFFRACTION; ISOMERS; MOLECULAR VIBRATIONS; POLARIZATION;

PLANAR STRUCTURE;

OLEFINS;

AZOBENZENE DERIVATIVE;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CALCULATION; GAS; GEOMETRY; ISOMER; POLARIZATION; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

EID: 0043076202     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja034433o     Document Type: Article

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