کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5383929 1504983 2011 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Towards a converged barrier height for the entrance channel transition state of the N(2D) + CH4 reaction and its implication for the chemistry in Titan's atmosphere
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Towards a converged barrier height for the entrance channel transition state of the N(2D) + CH4 reaction and its implication for the chemistry in Titan's atmosphere
چکیده انگلیسی
► Highly correlated ab initio methods confirm the existence of a potential barrier in the N(2D) + methane reaction. ► We suggest a barrier height of 3.86 ± 0.84 kJ/mol for the entrance transition state of the N(2D) + methane reaction. ► MS-MR-SDCI method corrected for SCE and BSSE has been used in present work.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 515, Issues 1–3, 17 October 2011, Pages 13-18
نویسندگان
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