Isomerization and electronic relaxation of azobenzene after being excited to higher electronic states

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 7, 2009, Pages 792-796

  Wang, Luoxin ^a   Xu, Weilin ^a   Yi, Changhai ^a   Wang, Xiaogong ^b  

^a WUHAN UNIVERSITY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

Ab initio calculation; Azobenzene; Excited state; Isomerization; Potential energy surface

Indexed keywords

AB INITIO CALCULATION; AB-INITIO; BOND ANGLES; CAS-SCF; CONICAL INTERSECTIONS; CRITICAL STRUCTURES; DECAY PROCESS; ELECTRONIC RELAXATIONS; LOCAL MINIMUMS; STABLE STRUCTURES; TRANSITION STATE; VIBRATIONAL ENERGIES;

ELECTRON TRANSITIONS; ELECTRONIC STATES; EXCITED STATES; GROUND STATE; INTERSECTIONS; ISOMERIZATION; ISOMERS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RELAXATION PROCESSES; SURFACE PHENOMENA;

POTENTIAL ENERGY;

AZOBENZENE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRON; ELECTRON TRANSPORT; ISOMERIZATION; MOLECULAR MECHANICS; MOLECULAR PHYSICS; PRIORITY JOURNAL; TRANS ISOMER; VIBRATION;

AZO COMPOUNDS; COMPUTER SIMULATION; ELECTRONS; ISOMERISM; LIGHT; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOTOCHEMICAL PROCESSES; ROTATION;

EID: 61449122913     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.11.011     Document Type: Article

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