کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5419240 1506973 2007 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Optimized geometries, vibrational frequencies, and thermochemical properties of mixed boron- and nitrogen-containing three-membered rings
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Optimized geometries, vibrational frequencies, and thermochemical properties of mixed boron- and nitrogen-containing three-membered rings
چکیده انگلیسی
As a follow-up to our paper on a carbon-boron-nitrogen three-membered ring, we present here the predicted structures, vibrational frequencies, and thermochemical properties of all possible mixed boron- and nitrogen-containing rings. Of the seven possible compounds, we were able to characterize minimum-energy structures for four of them. G2, G3, CBS, and DFT methods were employed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 806, Issues 1–3, 31 March 2007, Pages 113-120
نویسندگان
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