| Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations( Vol-4,Issue-7,July 2017 ) |
| Author(s): |
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Faeq A. Mohammed, Hamid I. Abbood |
| Keywords: |
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cis-platin, SDD basis sets, ionization energy, softness and electrophilic index. |
| Abstract: |
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Current work deals with the structural and electronic properties of the cis-platin by employing the B3LYP density functional theory with SDD basis sets at the Gaussian 09 package of programs. We showed a good relax was obtained for the cis-platin. The great contribution for constructing the molecular orbitals is due to the outer electrons in the platinum metal with few contributions from the p-orbitals of the ligands, cis-platin has insulating behavior. Also, the cis-platin has low electronic softness and it needs high excitation energy to electron transfer or to accepting an electron from the surrounding species. |
 DOI:
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| Paper Statistics: |
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| Cite this Article: |
| MLA |
| Faeq A. Mohammed et al ."Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations". International Journal of Advanced Engineering Research and Science(ISSN : 2349-6495(P) | 2456-1908(O)),vol 4, no. 7, 2017, pp.082-086 AI Publications, doi:10.22161/ijaers.4.7.12 |
| APA |
| Faeq A. Mohammed, Hamid I. Abbood(2017).Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations. International Journal of Advanced Engineering Research and Science(ISSN : 2349-6495(P) | 2456-1908(O)),4(7), 082-086. http://dx.doi.org/10.22161/ijaers.4.7.12 |
| Chicago |
| Faeq A. Mohammed, Hamid I. Abbood. 2017,"Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations". International Journal of Advanced Engineering Research and Science(ISSN : 2349-6495(P) | 2456-1908(O)).4(7):082-086. Doi: 10.22161/ijaers.4.7.12 |
| Harvard |
| Faeq A. Mohammed, Hamid I. Abbood. 2017,Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations, International Journal of Advanced Engineering Research and Science(ISSN : 2349-6495(P) | 2456-1908(O)).4(7), pp:082-086 |
| IEEE |
| Faeq A. Mohammed, Hamid I. Abbood."Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations", International Journal of Advanced Engineering Research and Science(ISSN : 2349-6495(P) | 2456-1908(O)),vol.4,no. 7, pp.082-086,2017. |
| Bibtex |
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@article {faeqa.mohammed2017structural, title={Structural and Electronic Properties of Cis-platin Metal Complex: B3LYP-SDD/DFT Calculations}, author={Faeq A. Mohammed, Hamid I. Abbood}, journal={International Journal of Advanced Engineering Research and Science}, volume={4}, year= {2017}, } |
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| References: |
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