کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5395195 1392232 2011 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Stereodynamics of the reaction H + LiH (v = 0, j = 0) → H2 + Li and its isotopic variants
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Stereodynamics of the reaction H + LiH (v = 0, j = 0) → H2 + Li and its isotopic variants
چکیده انگلیسی
Quasi-classical trajectory (QCT) method is used to calculate the stereodynamics of the reactions H + LiH (v = 0, j = 0) → H2 + Li and its isotopic variants based on the ground electronic state potential energy surface (PES) reported by Prudente et al. [14]. The reactive probabilities of the title reactions are computed. We also observed the changes of vector correlations and four generalized polarization-dependent differential cross-sections (PDDCSs) at different collision energies, and we compared the stereodynamics among different isotopic variants of the title reactions. The product polarization distribution of the title reactions exhibits distinct difference which may arise from different mass combinations or kinetic energies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 965, Issue 1, April 2011, Pages 107-113
نویسندگان
, , , ,