کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5416947 1506897 2010 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Geometric structures and dipole moments of Pbn (n = 13-18) clusters from ab initio quantum-chemical calculations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Geometric structures and dipole moments of Pbn (n = 13-18) clusters from ab initio quantum-chemical calculations
چکیده انگلیسی
The lowest-energy structures and low-lying isomers of Pbn (n = 13-18) clusters are obtained by using MP2 method. In the considered configuration and size range, it is found that the lowest-energy structures of Pbn clusters favor compact structures, which is different from the prolate structures of Snn clusters at the same size range. For the lowest-energy structures, our calculated dipole moments indicate that the Pb14 and Pb18 clusters possess large dipole moments, which are in good agreement with available experiment.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 948, Issues 1–3, 30 May 2010, Pages 11-14
نویسندگان
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