کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5395864 1505737 2014 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
0.1-2000 eV electron impact cross sections for dichlorine monoxide
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
0.1-2000 eV electron impact cross sections for dichlorine monoxide
چکیده انگلیسی
Scattering dynamics of dichlorine monoxide (Cl2O) molecule by electron impact is investigated as a function of electron energy and scattering angle. Electron impact total cross sections for Cl2O over an extensive range of impact energies from 0.1 to 2000 eV are reported in this article. Below the ionization threshold of the target, the ab initio R-matrix method and above this incident energy spherical complex optical potential formalism are used for cross section calculation. The total cross section obtained from both theories merges smoothly at the overlapping energy. The resonances obtained using DZP basis sets are located at 1.883, 3.592, 5.205 and 7.326, 8.206, 8.301, 8.452, 9.369 eV and that with 6-31G* basis sets are identified at 1.944, 3.566, 5.183, 5.261, 5.658, 8.738 and 9.187 eV with the possibility of negative ions formation. This is the first attempt to calculate the differential, and momentum transfer cross sections for Cl2O molecule.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 193, March 2014, Pages 86-91
نویسندگان
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