The Electronic Proprieties of the Silver Clusters
Issue:
Volume 2, Issue 6, November 2014
Pages:
46-68
Received:
18 November 2014
Accepted:
9 December 2014
Published:
22 December 2014
DOI:
10.11648/j.ijctc.20140206.11
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Abstract: En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and biding energy method employed ab initio and relativystic bases. Are optimization with the following levels of theorie: HF/LANL1MB, HF/LANL2MB, HF/LANL2DZ, B3LYP/LANL1MB, B3LYP/LANL2MB, B3LYP/LANL2DZ, MP2/LANL2DZ, DFT/PBE/SDD and DFT/PBE/3-21G**.
Abstract: En this article are presented the theorics work for clarify the structure of all silver cluster and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. For Ag2-A5 are reach different value of the bond, ionization potentials and frequencies, electron affinities and bid...
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