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Intrinsic product polarization and branch ratio in the S(~1D,~3P)+HD reaction on three electronic states
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作者 李琳 董顺乐 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第9期319-323,共5页
The intrinsic product polarization and intramolecular isotope effect of the S(~1D,~3P) + HD reaction have been investigated on both the lowest singlet state(1A) and the triplet state(3A and 3A) potential energy... The intrinsic product polarization and intramolecular isotope effect of the S(~1D,~3P) + HD reaction have been investigated on both the lowest singlet state(1A) and the triplet state(3A and 3A) potential energy surfaces by using quasi-classical trajectory and quantum mechanical methods.The calculations indicate that intramolecular isotope effects are different on the three electronic states.The stereodynamics study shows that the P(θr) distributions,P(φ r) distributions,and polarization-dependent differential cross sections(PDDCSs)(00) are sensitive to mass factor and the product angular momentum vectors are not only aligned but also oriented. 展开更多
关键词 quasi-classical trajectory quantum mechanics product polarization branch ratio
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