A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation

Chemical Physics Letters

Volumn 484, Issue 1-3, 2009, Pages 69-75

  Liu, Fengyi ^a   Liu, Yajun ^b   Vico, Luca De ^c   Lindh, Roland ^a  

^a LUND UNIVERSITY   (Sweden)

^b BEIJING NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; CHARGE-TRANSFER EXCITATIONS; ELECTRON EXCITATIONS; GAS-PHASE DECOMPOSITION; HYDROXYL GROUPS; REACTION MECHANISM; SUBSTITUTION EFFECT;

DECOMPOSITION; FLUORINE CONTAINING POLYMERS; LUMINESCENCE;

ORGANIC POLYMERS;

EID: 71549157460     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.11.009     Document Type: Article

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