Variational transition-state theory stud
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Hongchao Luo; Ying Wu; Liping Ju
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Article
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2011
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Elsevier
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English
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In the present paper, the variational transition-state theory (VTST) method has been used to carry out the dynamical calculations for the D ร + H 2 ? HD + H ร reaction and the H ร + D 2 ? HD + D ร reaction, respectively. The investigation of the variation of the potential energy curves and the bond