Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Gao, Ai Hua ^a   Li, Bin ^a   Zhang, Pei Yu ^a   Han, Ke Li ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; CIS-TRANS; CIS-TRANS ISOMERIZATION; CONICAL INTERSECTION; GEOMETRY OPTIMIZATION; NON-ADIABATIC; NON-ADIABATIC TRANSITIONS; PEDAL MOTION; PHENYL RINGS; SURFACE HOPPING; ULTRA-FAST;

AZOBENZENE; CALCULATIONS; ETHYLENE; MOLECULES; QUANTUM CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 84870528930     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767459     Document Type: Article

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