Quantum mechanical study of GaxAsx fullerene type Micro-Clusters for X=10, 13, 15, 18, 20, 25 and 30 atoms
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چکیده
منابع مشابه
Topological Analysis and Quantum Mechanical Structure of C4 and C5 Pure Carbon Clusters
Two bonding models i.e cumullenic and acetylenic models have been proposed to account for thebonding patterns in linear carbon clusters while the bonding patterns in cyclic and 3D geometrieS of theseclusters have remained ambiguous.This work presents the bonding patterns in various C4 and C5 pure clusters at MP2/aug-cc-pVTZ level oftheory. This subject is studied in the light of modern bonding ...
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Quantum micro-mechanics with ultracold atoms
THIERRY BOTTER, DANIEL BROOKS, SUBHADEEP GUPTA, ZHAO-YUAN MA, KEVIN L. MOORE, KATER W. MURCH, TOM P. PURDY and DAN M. STAMPER-KURN 1 Department of Physics, University of California, Berkeley, CA 94720, USA 2 Department of Physics, University of Washington, Seattle, WA 98195, USA 3 Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA ∗E-mail: dmsk@berkeley....
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The PM3 quantum-mechanical method is able to model the magic water clusters (H20),, and (H20)&+. Results indicate that the H30+ ion is tightly bound within the (H20),, cluster by multiple hydrogen bonds, causing deformation to the symmetric (HzO),, pentagonal dodecahedron structure. The structures, energetics, and hydrogen bond patterns of six local minima (H20)21H+ clusters are presented.
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ژورنال
عنوان ژورنال: Advanced Material Science
سال: 2017
ISSN: 2398-6883
DOI: 10.15761/ams.1000128