کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5417487 1506923 2009 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Can periodane accommodate neon?
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Can periodane accommodate neon?
چکیده انگلیسی

Periodane is a molecule in which each of the atoms from the second period other than neon occur exactly once. The isomers of a neon analogue of periodane are studied computationally using density functional theory and Møller-Plesset perturbation theory. We were unable to find stable structures in which neon was tightly bound; all the minima are found to be weakly bound NCB(F)OLi ⋯ Ne complexes. However, the novel NCB(F)OLi and NCBF molecules were found during the search.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 900, Issues 1–3, 30 April 2009, Pages 55-58
نویسندگان
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