کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416915 | 1506900 | 2010 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Quasi-classical trajectory study of the CD/CH product branching ratios for the C(1D)Â +Â HD reaction
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Quasi-classical trajectory study of the CD/CH product branching ratios for the C(1D)Â +Â HD reaction Quasi-classical trajectory study of the CD/CH product branching ratios for the C(1D)Â +Â HD reaction](/preview/png/5416915.png)
چکیده انگلیسی
Quasi-classical trajectory (QCT) calculation of the integral cross-sections and the CD/CH product branching ratios as a function of collision energy for the C(1D)Â +Â HD (v, j) reaction have been performed on an ab initio potential energy surface (Bussery-Honvault et al. (2001) [8]). Our QCT calculations show that the integral cross-sections and the CD/CH product branching ratios strongly depend on the initial rotation quantum number j and the vibrational quantum number v. The integral cross-sections decrease with the increment of the collision energy. The product vibrational and rotational state distributions are also presented. The calculated results are in general good agreement with experimental data and some previous theoretical results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 945, Issues 1â3, 15 April 2010, Pages 116-119
Journal: Journal of Molecular Structure: THEOCHEM - Volume 945, Issues 1â3, 15 April 2010, Pages 116-119
نویسندگان
Lihua Kang, Mingyuan Zhu,