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NBO Population Analysis and Electronic Calculation of Four Azopyridine Ruthenium Complexes by DFT Method (Articles)

N’Guessan Kouakou Nobel, Kafoumba Bamba, Ouattara Wawohinlin Patrice, Nahossé Ziao

Computational Chemistry Vol.5 No.1, January 19, 2017

DOI: 10.4236/cc.2017.51005 3,401 Downloads 7,068 Views Citations
Theoretical Study of the Reaction of (2, 2)-Dichloro (Ethyl) Arylphosphine with Bis (2, 2)-Dichloro (Ethyl) Arylphosphine by Hydrophosphination Regioselective by the DFT Method (Articles)

Kouadio Valery Bohoussou, Anoubilé Benié, Mamadou Guy-Richard Koné, Affi Baudelaire Kakou, Kafoumba Bamba, Nahossé Ziao

Computational Chemistry Vol.5 No.3, July 27, 2017

DOI: 10.4236/cc.2017.53010 1,046 Downloads 2,210 Views Citations
Vibrational and Electronic Spectra of 2-Phenyl-2-Imidazoline: A Combined Experimental and Theoretical Study (Articles)

Yeddu Sushma Priya, Kokkiripati Ramachandra Rao, Pallavajhula Venkata Chalapathi, Adamilli Veeraiah

Journal of Modern Physics Vol.9 No.4, March 30, 2018

DOI: 10.4236/jmp.2018.94049 1,182 Downloads 3,063 Views Citations
This article belongs to the Special Issue on Advances in Density Functional Theory
Theoretical and Electrochemical Characterization of δ-RuCl₂(Nazpy)₂: Application to Oxidation of D-Glucose (Articles)

Wawohinlin Patrice Ouattara, Kafoumba Bamba, Nahossé Ziao, Kouakou Nobel N’guessan

American Journal of Analytical Chemistry Vol.7 No.1, January 22, 2016

DOI: 10.4236/ajac.2016.71006 4,534 Downloads 5,807 Views Citations
Combined Experimental and Computational Investigation of 2-(2-Hydroxyphenylimino) Phenolic Derivatives: Synthesis, Molecular Structure and NLO Studies (Articles)

V. Duraisamy Nadhiya, Rathinam Kumaresan

International Journal of Organic Chemistry Vol.7 No.2, June 28, 2017

DOI: 10.4236/ijoc.2017.72015 1,664 Downloads 3,534 Views Citations
A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile (Articles)

Durai Sakthi, Madhu Prakasam, Annamalai Prakasam, Santhanam Sivakumar, Ponnusamy Munusamy Anbarasan

Computational Chemistry Vol.5 No.3, July 27, 2017

DOI: 10.4236/cc.2017.53011 1,385 Downloads 3,815 Views Citations
Quantum Chemistry Research on Zinc Electrodeposition in KCl Solution (Articles)

Zhiliang Chen

Open Access Library Journal Vol.10 No.3, March 31, 2023

DOI: 10.4236/oalib.1109762 110 Downloads 1,061 Views Citations
Prediction of the Photofading of Selected Derivatives of 5-(4-X-Phenylazo)-3-Cyano-1-(H or Ethyl)-6-Hydroxy-4-Methyl-2-Pyridone: Theoretical Studies, Comparison of AM1 and PM3 Methods (Articles)

Krzysztof Wojciechowski, Lucjan Szuster

Computational Chemistry Vol.12 No.2, April 30, 2024

DOI: 10.4236/cc.2024.122002 121 Downloads 559 Views Citations

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