کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5389405 1505136 2007 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Relative stabilities of all-metal clusters MAl4- (M = Li+, Na+, K+, Rb+, Cs+, Cu+, Ag+, Au+)
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Relative stabilities of all-metal clusters MAl4- (M = Li+, Na+, K+, Rb+, Cs+, Cu+, Ag+, Au+)
چکیده انگلیسی

Upon having made use of relative energy, relative polarizability and relative harness as three descriptors of relative stability, we test their behaviors in the description of the lowest energy isomers of all-metal clusters MAl4- (M = Li+, Na+, K+, Rb+, Cs+, Cu+, Ag+, Au+). It has been shown that the stability of the pyramidal isomer decreases with the addition of atomic number. Due to this reason, finally the planar isomer of the AuAl4- cluster is more stable than its pyramidal isomer. Compared to the minimum energy principle, the minimum polarizability principle is worth recommendation in assessing relative stabilities of isomers.

Upon having made use of relative energy, relative polarizability and relative harness as three descriptors of relative stability, we test their behaviors in the description of the lowest energy isomers of all-metal clusters MAl4- (M = Li+, Na+, K+, Rb+, Cs+, Cu+, Ag+, Au+).

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 438, Issues 1–3, 11 April 2007, Pages 20-25
نویسندگان
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