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February-2020
eISSN: 2349-5162
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Journal of Emerging Technologies and Innovative Research ( An International Scholarly Open Access Journal, Peer-reviewed, Refereed Journal )
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UGC Approved Journal no 63975(19)
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UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975
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Published Paper ID:
JETIR2002209
Registration ID:
227808
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Title
A DFT STUDY OF Ni(II) IN TETRAHEDRAL N-METHYLAMIDAZOLE COMPLEXE
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Abstract
The interaction between nickel (Ni2+) and N-methylimidazole has been considered by exploring the geometries of eleven precious stone structures within the Cambridge Auxiliary Database (CSD).The coordination behavior of the ion was assist examined by implies of thickness useful hypothesis (DFT) methods. The gas-phase complexe was fully optimized utilizing B3LYP/GENECP functionals with 6-31G∗ and LANL2DZ premise sets. Characteristic bond orbital (NBO) investigation and natural populace examination (NPA) show considerable lessening within the formal charge on the particular particles. The interaction between metal d-orbitals (giver) and ligand orbitals (acceptor) was moreover investigated utilizing second-order annoyance of the Fock matrix.
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"A DFT STUDY OF Ni(II) IN TETRAHEDRAL N-METHYLAMIDAZOLE COMPLEXE", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.7, Issue 2, page no.42-46, February-2020, Available :http://www.jetir.org/papers/JETIR2002209.pdf
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2349-5162 | Impact Factor 7.95 Calculate by Google Scholar
An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 7.95 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator
Cite This Article
"A DFT STUDY OF Ni(II) IN TETRAHEDRAL N-METHYLAMIDAZOLE COMPLEXE", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.7, Issue 2, page no. pp42-46, February-2020, Available at : http://www.jetir.org/papers/JETIR2002209.pdf
Publication Details
Published Paper ID: JETIR2002209
Registration ID: 227808
Published In: Volume 7 | Issue 2 | Year February-2020
Page No: 42-46
Country: BRABU ,MUZAFFARPUR,, BIHAR, India .
Area: Chemistry
ISSN Number: 2349-5162
Publisher: IJ Publication
Published Paper URL :: https://www.jetir.org/view?paper=JETIR2002209
Published Paper PDF: https://www.jetir.org/papers/JETIR2002209
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