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Photochemical Hydrogen Abstraction and Electron Transfer Reactions of Tetrachlorobenzoquinone with Pyrimidine
Tetrachlorobenzoquinone Thymine Uracil Triplet state Hydrogen abstrac-tion Electron transfer Laser flash photolysis
2012/4/5
Pentachlorophenol, a widespread environmental pollutant that is possibly carcinogenic to humans, is metabolically oxidized to tetrachloroquinone (TCBQ) which can result in DNA damage. We have investig...
Isotopic Effects on Stereodynamics for Ca+HCl, Ca+DCl, and Ca+TCl Reactions
Isotopic effect Stereodynamics Quasi-classical trajectory Vector correlation
2012/4/5
The vector correlations in Ca+HCl, Ca+DCl, and Ca+TCl reactions have been investigated by means of the quasi-classical trajectory calculations on PES constructed by means of multireference configurati...
On the role of dynamical barriers in barrierless-reactions at low energies: S($^1$D) + H$_2$
Departamento de Qu待mica F待sica, Facultad de Qu待mica, Universidad Complutense Departamento de Qu待mica F待sica, Facultad de Qu待mica, Universidad Complutense Departamento de Qu待mica, Universidade de Coimbra,
2011/9/1
Reaction probabilities as a function of total angular momentum (opacity functions) and the resulting reaction cross-sections for the collision of open shell S(1D) atoms with para- hydrogen have been c...