Photoisomerization of azobenzene from first-principles constrained density-functional calculations

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Tiago, Murilo L ^a,b   Ismail Beigi, Sohrab ^a,b   Louie, Steven G ^a,b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL CALCULATION; FIRST-PRINCIPLE CALCULATIONS; PHOTOISOMERIZATION; ROTATION PATH MECHANISMS;

ISOMERIZATION; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; ROTATION; TORSIONAL STRESS; ULTRAVIOLET SPECTROSCOPY;

BENZENE;

EID: 22944471420     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1861873     Document Type: Article

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