کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1308795 1499152 2015 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A relativistic DFT probe of energetics and structural properties of catalytically important macrocyclic diuranium(III) complexes
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
A relativistic DFT probe of energetics and structural properties of catalytically important macrocyclic diuranium(III) complexes
چکیده انگلیسی
Pacman-like 1 can be chemically modified in a variety of ways. The transformation into its non-classic Pacman isomer releases 9.8 kcal/mol energy according to calculations including both solvation and spin-orbit coupling effects. Although being endoergic, the addition of one THF or iodine can be achieved in a mild experimental condition; so do the reactions of varying bridged atom and lengthening ligand linker.72
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Inorganica Chimica Acta - Volume 437, 1 October 2015, Pages 95-102
نویسندگان
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