A resonance Raman spectroscopic and CASSCF investigation of the Franck-Condon region structural dynamics and conical intersections of thiophene

Journal of Chemical Physics

Volumn 133, Issue 13, 2010, Pages

  Wu, Xian Fang ^a   Zheng, Xuming ^a   Wang, Hui Gang ^a   Zhao, Yan Yin ^a   Guan, Xiangguo ^b   Phillips, David Lee ^b   Chen, Xuebo ^c   Fang, Weihai ^c  

^a ZHEJIANG SCI TECH UNIVERSITY   (China)

^b UNIVERSITY OF HONG KONG   (Hong Kong)

^c BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION BAND; ANTISYMMETRIES; CAS-SCF; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; COMPUTATIONAL RESULTS; CONICAL INTERSECTION; CONICAL INTERSECTION POINTS; CYCLOHEXANE SOLUTIONS; DECAY CHANNELS; ELECTRONIC TRANSITION ENERGIES; EXCITATION WAVELENGTH; EXCITED STATE STRUCTURES; FRANCK-CONDON; INTERNAL CONVERSIONS; PHOTODISSOCIATION DYNAMICS; POTENTIAL ENERGY HYPER SURFACES; REACTION CHANNELS; REACTION COORDINATES; REACTION PATHWAYS; RESONANCE RAMAN; RESONANCE RAMAN SPECTRA; RING OPENING; SINGLET EXCITED STATE; ULTRA-FAST;

CHEMICAL BONDS; MOLECULAR ORBITALS; PHOTODISSOCIATION; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; RAMAN SPECTROSCOPY; RESONANCE; STRUCTURAL DYNAMICS; THIOPHENE;

EXCITED STATES;

EID: 79955688490     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3480361     Document Type: Article

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