Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n π state

Journal of Chemical Physics

Volumn 131, Issue 19, 2009, Pages

  Ootani, Yusuke ^a   Satoh, Kiminori ^a   Nakayama, Akira ^a   Noro, Takeshi ^a   Taketsugu, Tetsuya ^a,b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; CIS-TO-TRANS ISOMERIZATION; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; COUNTER CLOCKWISE ROTATION; PHENYL RINGS; PHOTOISOMERIZATIONS; ROTATION MECHANISM;

ELECTRON TRANSITIONS; ISOMERS; MOLECULAR DYNAMICS; PHOTOISOMERIZATION;

ROTATION;

EID: 70450278887     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3263918     Document Type: Article

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