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Research ArticlePublished 4 July 2017
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
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 4 July 2017
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
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 4 July 2017
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
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 4 July 2017
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
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 28 April 2017
Theoretical Investigation of the Newly Designed Benzimidazole Based Metal Mediated DNA Base Couples with DFT Method
Fatma Sevin, Mostafa Asghari Dilmani, Kübra Sarıkavak, Samira Farshbaf Jeddi
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 28 April 2017
Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation
Juan Frau, Daniel Glossman-Mitnik
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 28 April 2017
Book Review: Developmental Juvenile Osteology—2^nd Edition
Geoffrey H. Sperber
Forensic Medicine and Anatomy Research
Abstract Full text (PDF)
Research ArticlePublished 6 December 2016
NBO Population Analysis and Electronic Calculation of Four Azopyridine Ruthenium Complexes by DFT Method
N’Guessan Kouakou Nobel, Kafoumba Bamba, Ouattara Wawohinlin Patrice, Nahossé Ziao
Computational Chemistry
Abstract Full text (PDF)
Research ArticlePublished 19 January 2017
Impact of Therapeutic Electrical Stimulation of Sacral Surface Considering Individual Anatomical Sacral Variations on Early Recovery Urinary Continence after Radical Prostatectomy
Naser A. ElSawy, Hesham G. Mahran, Abdullah G. Alkushi
Forensic Medicine and Anatomy Research
Abstract Full text (PDF)
Research ArticlePublished 6 December 2016
Quantum Chemistry Prediction of Molecular Lipophilicity Using Semi-Empirical AM1 and Ab Initio HF/6-311++G Levels
Ouanlo Ouattara, Nahossé Ziao
Computational Chemistry
Abstract Full text (PDF)

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A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile

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

ONIOM Method Characterization of Hydrogen Bonding Sites of Mycolactone A/B, a Buruli Ulcer Toxin

Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives

Theoretical Investigation of the Newly Designed Benzimidazole Based Metal Mediated DNA Base Couples with DFT Method

Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation

Book Review: Developmental Juvenile Osteology—2^nd Edition

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

Impact of Therapeutic Electrical Stimulation of Sacral Surface Considering Individual Anatomical Sacral Variations on Early Recovery Urinary Continence after Radical Prostatectomy

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

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A Complete DFT, TD-DFT and Non-Linear Optical Property Study on 6-Amino-2-Methylpyridine-3-Carbonitrile

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

ONIOM Method Characterization of Hydrogen Bonding Sites of Mycolactone A/B, a Buruli Ulcer Toxin

Quantum Chemical Characterization of Hydrogen Bonding Sites in Three 4-(4-Halo-Phenyl)-6-(Furan-2-yl) Pyrimidin-2-Amine Derivatives

Theoretical Investigation of the Newly Designed Benzimidazole Based Metal Mediated DNA Base Couples with DFT Method

Comparative Study of the Chemical Reactivity of Helical Peptide Models for Protein Glycation

Book Review: Developmental Juvenile Osteology—2^nd Edition

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

Impact of Therapeutic Electrical Stimulation of Sacral Surface Considering Individual Anatomical Sacral Variations on Early Recovery Urinary Continence after Radical Prostatectomy

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