کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
976766 933152 2010 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Use of generalized exponential function to build three-dimensional reactive surfaces
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه ریاضیات فیزیک ریاضی
پیش نمایش صفحه اول مقاله
Use of generalized exponential function to build three-dimensional reactive surfaces
چکیده انگلیسی

In this work, we introduce a new analytical form based on the q-exponential function to build three-dimensional reactive surfaces. The quality of this new function is tested by fitting the ab initio potential energy surface (PES) to the ground state Na+HF reaction. The thermal rate constant and reactive probabilities were determined considering this new PES. The obtained properties agree with those found for other PES available in literature.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica A: Statistical Mechanics and its Applications - Volume 389, Issue 17, 1 September 2010, Pages 3604–3612
نویسندگان
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