A multireference perturbation study of the NN stretching frequency of trans-azobenzene in nπ* excitation and an implication for the photoisomerization mechanism

Journal of Chemical Physics

Volumn 138, Issue 6, 2013, Pages

  Harabuchi, Yu ^a   Ishii, Moe ^a   Nakayama, Akira ^a   Noro, Takeshi ^a   Taketsugu, Tetsuya ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY VARIATIONS; EQUILIBRIUM STRUCTURES; EXPERIMENTAL OBSERVATION; MINIMUM-ENERGY STRUCTURES; MULTI REFERENCE; REACTION PATHWAYS; SECOND ORDER PERTURBATION THEORY; STRETCHING FREQUENCY; STRETCHING MODES; SYMMETRIC STRETCHING;

EXCITED STATES;

ROTATION;

EID: 84874272997     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4790611     Document Type: Article

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