کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7157595 1462768 2018 27 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Effect of magnesium on FOX-7 and its tautomers-A DFT treatment
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی کنترل و سیستم های مهندسی
پیش نمایش صفحه اول مقاله
Effect of magnesium on FOX-7 and its tautomers-A DFT treatment
چکیده انگلیسی
FOX-7 and its cisoid and transoid 1,5-tautomers as well as magnesium composites of all have been investigated quantum chemically within the restrictions of density functional theory (B3LYP/6-311++G(d,p)). Certain physico-chemical and quantum chemical properties, energies, stabilities, calculated IR and UV-VIS spectra are discussed. The influence of magnesium atom is investigated. It has been found that in FOX-7 composites the magnesium is not a silent ingredient, but interacts with the organic constituents.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Defence Technology - Volume 14, Issue 3, June 2018, Pages 179-187
نویسندگان
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