The Electronic Properties of the Silver Clusters in Gas Phase and Water

Mariana Virginia Popa

doi:doi:10.11648/j.ijctc.s.2015030301.13

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The Electronic Properties of the Silver Clusters in Gas Phase and Water

Mariana Virginia Popa

Published in International Journal of Computational and Theoretical Chemistry (Volume 3, Issue 3-1)

Received: 4 March 2015 Accepted: 4 March 2015 Published: 10 March 2015

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Abstract

En this article are presented the theorics work for clarify the structure of all silver cluster in gas phase and water and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. Are calculated different value of the bond, ionization potentials and frequencies, electron affinities and binding 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**.

Published in	International Journal of Computational and Theoretical Chemistry (Volume 3, Issue 3-1) This article belongs to the Special Issue Electronic Proprieties in Computational Chemistry
DOI	10.11648/j.ijctc.s.2015030301.13
Page(s)	36-57
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2015. Published by Science Publishing Group

Keywords

Silver, Relativystic Effects, Metal Clusters, Silver Cluster in Water

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Mariana Virginia Popa. (2015). The Electronic Properties of the Silver Clusters in Gas Phase and Water. International Journal of Computational and Theoretical Chemistry, 3(3-1), 36-57. https://doi.org/10.11648/j.ijctc.s.2015030301.13

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Mariana Virginia Popa. The Electronic Properties of the Silver Clusters in Gas Phase and Water. Int. J. Comput. Theor. Chem. 2015, 3(3-1), 36-57. doi: 10.11648/j.ijctc.s.2015030301.13

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AMA Style

Mariana Virginia Popa. The Electronic Properties of the Silver Clusters in Gas Phase and Water. Int J Comput Theor Chem. 2015;3(3-1):36-57. doi: 10.11648/j.ijctc.s.2015030301.13

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@article{10.11648/j.ijctc.s.2015030301.13,
  author = {Mariana Virginia Popa},
  title = {The Electronic Properties of the Silver Clusters in Gas Phase and Water},
  journal = {International Journal of Computational and Theoretical Chemistry},
  volume = {3},
  number = {3-1},
  pages = {36-57},
  doi = {10.11648/j.ijctc.s.2015030301.13},
  url = {https://doi.org/10.11648/j.ijctc.s.2015030301.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijctc.s.2015030301.13},
  abstract = {En this article are presented the theorics work for clarify the structure of all silver cluster in gas phase and water and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. Are calculated different value of the bond, ionization potentials and frequencies, electron affinities and binding 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**.},
 year = {2015}
}

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TY  - JOUR
T1  - The Electronic Properties of the Silver Clusters in Gas Phase and Water
AU  - Mariana Virginia Popa
Y1  - 2015/03/10
PY  - 2015
N1  - https://doi.org/10.11648/j.ijctc.s.2015030301.13
DO  - 10.11648/j.ijctc.s.2015030301.13
T2  - International Journal of Computational and Theoretical Chemistry
JF  - International Journal of Computational and Theoretical Chemistry
JO  - International Journal of Computational and Theoretical Chemistry
SP  - 36
EP  - 57
PB  - Science Publishing Group
SN  - 2376-7308
UR  - https://doi.org/10.11648/j.ijctc.s.2015030301.13
AB  - En this article are presented the theorics work for clarify the structure of all silver cluster in gas phase and water and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. Are calculated different value of the bond, ionization potentials and frequencies, electron affinities and binding 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**.
VL  - 3
IS  - 3-1
ER  -

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Author Information

Mariana Virginia Popa

Electronic and Telecomunication, Autonomous University of the Hidalgo State, Mexico

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APA Style

Mariana Virginia Popa. (2015). The Electronic Properties of the Silver Clusters in Gas Phase and Water. International Journal of Computational and Theoretical Chemistry, 3(3-1), 36-57. https://doi.org/10.11648/j.ijctc.s.2015030301.13

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ACS Style

Mariana Virginia Popa. The Electronic Properties of the Silver Clusters in Gas Phase and Water. Int. J. Comput. Theor. Chem. 2015, 3(3-1), 36-57. doi: 10.11648/j.ijctc.s.2015030301.13

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AMA Style

Mariana Virginia Popa. The Electronic Properties of the Silver Clusters in Gas Phase and Water. Int J Comput Theor Chem. 2015;3(3-1):36-57. doi: 10.11648/j.ijctc.s.2015030301.13

Copy | Download

@article{10.11648/j.ijctc.s.2015030301.13,
  author = {Mariana Virginia Popa},
  title = {The Electronic Properties of the Silver Clusters in Gas Phase and Water},
  journal = {International Journal of Computational and Theoretical Chemistry},
  volume = {3},
  number = {3-1},
  pages = {36-57},
  doi = {10.11648/j.ijctc.s.2015030301.13},
  url = {https://doi.org/10.11648/j.ijctc.s.2015030301.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijctc.s.2015030301.13},
  abstract = {En this article are presented the theorics work for clarify the structure of all silver cluster in gas phase and water and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. Are calculated different value of the bond, ionization potentials and frequencies, electron affinities and binding 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**.},
 year = {2015}
}

Copy | Download

TY  - JOUR
T1  - The Electronic Properties of the Silver Clusters in Gas Phase and Water
AU  - Mariana Virginia Popa
Y1  - 2015/03/10
PY  - 2015
N1  - https://doi.org/10.11648/j.ijctc.s.2015030301.13
DO  - 10.11648/j.ijctc.s.2015030301.13
T2  - International Journal of Computational and Theoretical Chemistry
JF  - International Journal of Computational and Theoretical Chemistry
JO  - International Journal of Computational and Theoretical Chemistry
SP  - 36
EP  - 57
PB  - Science Publishing Group
SN  - 2376-7308
UR  - https://doi.org/10.11648/j.ijctc.s.2015030301.13
AB  - En this article are presented the theorics work for clarify the structure of all silver cluster in gas phase and water and are compareted the results with experimental data for see which levels of theory describe better the propriety of the silver cluster. Are calculated different value of the bond, ionization potentials and frequencies, electron affinities and binding 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**.
VL  - 3
IS  - 3-1
ER  -

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