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Liste des Publications[ Laboratoire de chimie Théorique et de Spectroscopie Moléculaire (LCTSM)]

Comparative study of the antioxidant properties of trolox, ascorbic acid and butyl hydroxytolene (bht) by the methods of quantum chemistry

Article, Ajoutée le 14/02/2018 16:00

By functional B3LYP of the DFT, and in two bases set (6-311G (d, p), cc-pDVZ), and by the semi-empirical method AM1 a theoretical study of the antioxidant properties of three molecules (the trolox, the ascorbic acid and butyl hydroxy toluene) was car [...]

CHABI DOKO RODRIGUE [1], KPOTA HOUNGUE MAHOUGBE TATA ALICE [2], KPOTIN ASSONGBA GASTON [3], KUEVI URBAIN AMAH [4], ATOHOUN YACOLÈ GUY SYLVAIN [5], MENSAH JEAN-BAPTISTE [6],

Dft study of chemical reactivity of free radicals abts°+ and dpph° by myricetin, quercetin and kaempferol

Article, Ajoutée le 14/02/2018 15:51

Myricetin, quercetin and kaempferol are polyphenols belong to the group of flavonoids. They are known for their many biological activities and particularly their strong ability to trap free radicals that cause nuisance to living organisms. In order t [...]

KPOTA HOUNGUE MAHOUGBE TATA ALICE [1], CHABI DOKO RODRIGUE [2], KPOTIN ASSONGBA GASTON [3], KUEVI URBAIN AMAH [4], KOUDJINA SIMPLICE [5], KANHOUNNON G. WILFRIED [6],

A dft study or the relationship between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivaties

Article, Ajoutée le 09/02/2018 23:34

A theoretical study of the relationships between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivatives on plasmodium genes was carried out. The electronic structure of molecules wa [...]

ANATOVI WILFRIED [1], KPOTIN ASSONGBA GASTON [2], KUEVI URBAIN AMAH [3], KPOTA HOUNGUE MAHOUGBE TATA ALICE [4], ATOHOUN YACOLÈ GUY SYLVAIN [5], MENSAH JEAN-BAPTISTE [6],

3. a theoretical study of the relationships between electronic structure and inhibitory effects of caffeine derivatives on neoplastic transformation

Article, Ajoutée le 09/02/2018 16:47

A DFT study of the relationships between electronic structure and inhibitory effects of caffeine derivatives on neoplastic transformation was carried out. We obtain one statistically significant equation (R=0.97, R²= 0.94, adjusted R²= 0.92, F(7,34) [...]

KPOTIN ASSONGBA GASTON [1], KANKINOU S. GAUTIER [2], KUEVI URBAIN AMAH [3], GOMEZ-JERIA JUAN SEBASTIAN [4], MENSAH JEAN-BAPTISTE [5],

A quantum-chemical study of the relationships between electronic structure and anti-proliferative activity of quinoxaline derivatives on the hela cell line

Article, Ajoutée le 09/02/2018 16:40

A study of the relationships between electronic structure and anti-proliferative activity of quinoxaline derivatives on the HeLa cell line was carried out. For this QSAR study the technique employed is the Klopman-Peradejordi-Gómez (KPG) method. We [...]

KPOTIN ASSONGBA GASTON [1], GOMEZ-JERIA JUAN SEBASTIAN [2],

Some remarks on the interpretation of the local atomic reactivity indices within the klopman-peradejordi-gómez (kpg) method. i. theoretical analysis

Article, Ajoutée le 09/02/2018 16:35

The Klopman-Peradejordi-Gómez method relates the variation of a biological activity, measured in vivo or in vitro, with the variation of the numerical values of a set of local atomic reactivity indices (LARIs). The introduction of local atomic reacti [...]

KPOTIN ASSONGBA GASTON [2], GOMEZ-JERIA JUAN SEBASTIAN [1],

Theoretical study of alkylation of 4-amino-1,2,4-triazol in presence of aluminium chloride

Article, Ajoutée le 09/02/2018 16:24

The theoretical study of alkylation of 4-amino-1,2,4-triazol (C2N4H4) in the presence of aluminum chloride (AlCl3) was carried out by quantum chemical methods HF and DFT, in Lanl2Dz basis set. The results show that N-alkyl product is favorable ther [...]

KPOTIN ASSONGBA GASTON [1], KUEVI URBAIN AMAH [2], KPOTA HOUNGUE MAHOUGBE TATA ALICE [3], ATOHOUN YACOLÈ GUY SYLVAIN [4], MENSAH JEAN-BAPTISTE [5],

A dft study or the relationship between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivatives

Article, Ajoutée le 08/02/2018 17:22

A theoretical study of the relationships between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivatives on plasmodium genes was carried out. The electronic structure of molecules wa [...]

KPOTIN ASSONGBA GASTON [2], ANATOVI WILFRIED [1], KUEVI URBAIN AMAH [3], KPOTA HOUNGUE MAHOUGBE TATA ALICE [4], ATOHOUN YACOLÈ GUY SYLVAIN [5], MENSAH JEAN-BAPTISTE [6], GOMEZ-JERIA JUAN SEBASTIAN [0],

Dft study of benzamide coordination with zinc (ii)

Article, Ajoutée le 08/02/2017 13:57

Benzamide (C6H5CONH2) is the first representative of the aromatic acid amides. Its molecule contains an amide group. Amide group is the main structural unit of polyamides, peptides and proteins. This functional group plays a special role in very im [...]

KUEVI URBAIN AMAH [1], ATOHOUN YACOLÈ GUY SYLVAIN [2], KPOTIN ASSONGBA GASTON [3], KPOTA HOUNGUE MAHOUGBE TATA ALICE [4], BURKE L. ANTONY [5], MENSAH JEAN-BAPTISTE [6],

Publications par entité

  • Centre de Formation et de Recherche en matière de Population (CEFORP) (15)
  • Centre Interfacultaire de Formation et de Recherche en Environnement pour le Développement Durable (CIFRED) (18)
  • Chaire Internationale en Physique Mathématique et Applications (CIPMA-Chaire UNESCO) (16)
  • Ecole Nationale d'Administration et de Magistrature (ENAM) (41)
  • Ecole Nationle d'Economie Appliquée et de Management (49)
  • Ecole Normale Supérieure (16)
  • Ecole Polytechnique d'Abomey-Calavi (EPAC) (789)
  • Faculté de droit et de Science Politique (FADESP) (40)
  • Faculté des Lettres et Sciences Humaines (FLASH) (698)
  • Faculté des Sciences Agronomiques (1334)
  • Faculté des Sciences de la Santé (FSS) (1452)
  • Faculté des Sciences Economiques et de Gestion (FASEG) (116)
  • Faculté des Sciences et Techniques (FAST) (713)
  • Faculté des Sciences Humaines et Sociales (FASHS) (15)
  • Institut de Formation et de Recherche en Informatique (IFRI) (65)
  • Institut de Mathématiques et de Sciences Physiques (IMSP) (46)
  • Institut National de l'Eau (INE) (13)
  • INSTITUT NATIONAL DE LA JEUNESSE DE L’EDUCATION PHYSIQUE ET SPORT(INJEPS) (187)
  • Institut National des Métiers d'Art d'Archéologie et de la Culture (INMAAC) (4)
  • Institut Régional de Santé Publique (IRSP) (47)

Publications par sexe

  • Femme( 816 )
  • Homme (