Theoretical investigation on structural properties of ethylene clusters (C2H4)n (n⩽25)
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چکیده
منابع مشابه
Theoretical Investigation on Structural Properties of Ethylene Clusters (c 2 H 4 ) N (n ≤ 25)
Geometries of ethylene clusters (C 2 H 4) n in the range of n ≤ 25 are optimized with the intermolecular potential based on the ab initio calculations of the dimer. The heuristic method combined with geometrical perturbations is used for geometry optimization. Ethylene clusters do not take the icosahedral motif characteristic of some van der Waals molecular clusters. The structural evolution of...
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ژورنال
عنوان ژورنال: Computational and Theoretical Chemistry
سال: 2011
ISSN: 2210-271X
DOI: 10.1016/j.comptc.2011.05.025