Computational Chemistry

Vol.5 No.1(2017), Paper ID 73616, 13 pages

DOI:10.4236/cc.2017.51004

 

Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and Ab Initio HF/6-311++G Levels

 

Ouanlo Ouattara, Nahossé Ziao

 

Laboratoire de Thermodynamique et de Physico-Chimie du Milieu, UFR-SFA, Université Nangui Abrogoua, Abidjan, Côte d’Ivoire
Laboratoire de Thermodynamique et de Physico-Chimie du Milieu, UFR-SFA, Université Nangui Abrogoua, Abidjan, Côte d’Ivoire

 

Copyright © 2017 Ouanlo Ouattara, Nahossé Ziao et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

 

How to Cite this Article


Ouattara, O. and Ziao, N. (2017) Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and Ab Initio HF/6-311++G Levels. Computational Chemistry, 5, 38-50. doi: 10.4236/cc.2017.51004.

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