A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile
Durai Sakthi, Madhu Prakasam, Annamalai Prakasam, Santhanam Sivakumar, Ponnusamy Munusamy Anbarasan

Comput. Chem. Vol.5 No.3, July 27, 2017
DOI:10.4236/cc.2017.53011

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

Comput. Chem. Vol.5 No.3, July 27, 2017
DOI:10.4236/cc.2017.53010

ONIOM Method Characterization of Hydrogen Bonding Sites of Mycolactone A/B, a Buruli Ulcer Toxin
Kadjo François Kassi, Mamadou Guy-Richard Koné, Sopi Thomas Affi, Nahossé Ziao

Comput. Chem. Vol.5 No.3, July 11, 2017
DOI:10.4236/cc.2017.53009

Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives
Yafigui Traore, Kafoumba Bamba, Nahossé Ziao, Sopi Thomas Affi, Mamadou Guy-Richard Kone

Comput. Chem. Vol.5 No.3, July 05, 2017
DOI:10.4236/cc.2017.53008