کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5416638 1506903 2010 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantum wave packet study of the He + CaH reaction
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Quantum wave packet study of the He + CaH reaction
چکیده انگلیسی
The He + CaH inelastic reaction is studied by a time-dependent quantum wave packet method, using the most recent potential energy surface reported by Groenenboom and Balakrishnan [1]. The state-to-state and state-to-all transition probabilities for total angular momentum J = 0 have been calculated in a broad range of collision energies. Integral cross sections and rate constants have been calculated from the wave packet transition probabilities by means of J-shifting approximation based on a capture model and a uniform J-shifting method for J > 0.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 942, Issues 1–3, 28 February 2010, Pages 98-103
نویسندگان
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