کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416461 | 1506907 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Application of the sixth-order symplectic integration to the chemical stereodynamics for the reactions Li + H(D)F (v = 0, j = 0) â LiF + H(D)
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Application of the sixth-order symplectic integration to the chemical stereodynamics for the reactions Li + H(D)F (v = 0, j = 0) â LiF + H(D) Application of the sixth-order symplectic integration to the chemical stereodynamics for the reactions Li + H(D)F (v = 0, j = 0) â LiF + H(D)](/preview/png/5416461.png)
چکیده انگلیسی
Studies on the dynamical stereochemistry of the Li + HF reaction and its isotopic variants have been performed using quasi-classical trajectory (QCT) method with the sixth-order symplectic integration on the AP2-PES which is produced by Aguado et al. [A. Aguado, M. Paniagua, M. Lara, O. Roncero, J. Chem. Phys. 107 (1997) 10085]. The polarization-dependent differential cross-sections (PDDCSs) have been calculated and compared. In addition, comparisons of the distributions P(θr), P(Ïr) and of the average rotational alignment factor ãP2(cos θr)ã are given for the isotopic variants.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 916, Issues 1â3, 30 December 2009, Pages 23-27
Journal: Journal of Molecular Structure: THEOCHEM - Volume 916, Issues 1â3, 30 December 2009, Pages 23-27
نویسندگان
Ming-Hu Yuan, Guo-Jun Zhao,