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Wenliang Li, Hongsheng Zhai, Yan Feng and JuanJuan Zhao A comparison of attack angle dependence of exchange channel of reaction H + HS (v = 0, 1; j = 0) on 3A″ and 3A′ surfaces International Journal of Quantum Chemistry 113

Article first published online: 1 AUG 2013 | DOI: 10.1002/qua.24525

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Chemical reactions involving sulfur atoms and sulfur-containing species play an important role in combustion and atmospheric chemistry. Chemical stereo-dynamics can provide valuable information about relevant reactions. One stereo-dynamical effect of primary importance is the dependence of the reaction probability on the attack angle. This work analyzes barrier heights at different attack angles to obtain the influence of attack angles on the reaction probability, using new potential energy surfaces.

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