کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5394261 1505624 2012 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Theoretical investigations of spin-orbit coupling and kinetics in reaction NO2 with CO catalyzed by gas phase bare Ir+
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Theoretical investigations of spin-orbit coupling and kinetics in reaction NO2 with CO catalyzed by gas phase bare Ir+
چکیده انگلیسی
► Theoretical study for the spin-forbidden reaction of NO2 and CO catalyzed by Ir+. ► Reactions are typical “two-state reactivity” (TSR) reactions, two crossing points (CP1 and CP2) are involved. ► Because of the large SOC involved, the ISC occur effectively. ► The energetic span (δE) model was applied in this cycle to obtain some kinetic information.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1001, 1 December 2012, Pages 15-19
نویسندگان
, , ,