Molecular structure, HOMO-LUMO, MEP and Fukui function analysis of some TTF-donor substituted molecules using DFT (B3LYP) calculations A Bendjeddou, T Abbaz, A Gouasmia, D Villemin International Research Journal of Pure and Applied Chemistry 12 (1), 1-9, 2016 | 87 | 2016 |
Molecular structure, HOMO, LUMO, MEP, natural bond orbital analysis of benzo and anthraquinodimethane derivatives D Villemin, T Abbaz, A Bendjeddou Pharmaceutical and Biological Evaluations 5 (2), 2018 | 52 | 2018 |
Quantum chemical studies on molecular structure and reactivity descriptors of some P-nitrophenyl tetrathiafulvalenes by density functional theory (DFT) A Bendjeddou, T Abbaz, A Gouasmia, D Villemin Acta Chim. Pharm. Indica 6 (2), 32-44, 2016 | 46 | 2016 |
Quadratic nonlinear optical response in partially charged donor-substituted tetrathiafulvalene: From a computational investigation to a rational synthetic feasibility JF Lamère, I Malfant, A Sournia-Saquet, PG Lacroix, JM Fabre, L Kaboub, ... Chemistry of materials 19 (4), 805-815, 2007 | 41 | 2007 |
Molecular orbital studies (hardness, chemical potential, electronegativity and electrophilicity) of TTFs conjugated between 1, 3-dithiole T Abbaz, A Bendjeddou, D Villemin International Journal of Advanced Research in Science, Engineering and …, 2018 | 17 | 2018 |
Density functional theory studies on molecular structure and electronic properties of sulfanilamide, sulfathiazole, E7070 and furosemide molecules T Abbaz, A Bendjeddou, D Villemin J. Appl. Chem 12 (1), 60-69, 2019 | 16 | 2019 |
New TTF and bis-TTF containing thiophene units: Electrical properties of the resulting salts T Abbaz, AK Gouasmia, H Fujiwara, T Hiraoka, T Sugimoto, M Taillefer, ... Synthetic metals 157 (13-15), 508-516, 2007 | 16 | 2007 |
Antibacterial activity and global reactivity descriptors of some newly synthesized unsymmetrical sulfamides A Bendjeddou, T Abbaz, A Ayari, M Benahmed, A Gouasmia, D Villemin Oriental journal of chemistry 32 (2), 799-806, 2016 | 15 | 2016 |
Synthesis, characterization and antibacterial activity of cyclic sulfamide linked to tetrathiafulvalene (TTF) T Abbaz, A Bendjeddou, A Gouasmia, D Bouchouk, C Boualleg, ... Letters in Organic Chemistry 11 (1), 59-63, 2014 | 15 | 2014 |
Studies on Chemical Reactivity of p-aminophenyl Benzene- Fused Bis Tetrathiafulvalenes Through Quantum Chemical Approaches B Amel, A Tahar, G Abdelkrim, V Didier American Journal of Applied Chemistry 4 (3), 104-110, 2016 | 11 | 2016 |
Characterization of the anion-ordering transition in by x-ray absorption and photoemission spectroscopies G Subías, T Abbaz, JM Fabre, J Fraxedas Physical Review B—Condensed Matter and Materials Physics 76 (8), 085103, 2007 | 11 | 2007 |
A computational study of the inclusion of β-cyclodextrin and nicotinic acid: DFT, DFT-D, NPA, NBO, QTAIM, and NCI-RDG studies HR Belhouchet, T Abbaz, A Bendjedou, A Gouasmia, D Villemin Journal of Molecular Modeling 28 (11), 348, 2022 | 10 | 2022 |
Structural studies, NBO analysis and reactivity descriptors of π-Extended tetrathiafulvalene (exTTF) connected to thiophene derivative T Abbaz, A Bendjeddou, D Villemin Archives of Current Research International 14 (2), 1-13, 2018 | 10 | 2018 |
Quantum chemical descriptors of some P-aminophenyl tetrathiafulvalenes through density functional theory (DFT) A Bendjeddou, T Abbaz, S Maache, R Rehamnia, AK Gouasmia, ... Rasayan Journal of Chemistry 9 (1), 2016 | 10 | 2016 |
Quantum chemical studies on molecular structure and reactivity descriptors of a series of trimethyltetrathiafulvalene functionalized by conjugated substituent A Bendjeddou, T Abbaz, S Drissi, A Gouasmia, D Villemin Journal of Advanced Chemical Sciences, 318-322, 2016 | 9 | 2016 |
Computational studies of global and local reactivity descriptors of some trimethyltetrathiafulvalenylthiophene molecules (tMeTTF-TP) by density functional theory (DFT) M Benazzouz, T Abbaz, A Bendjeddou, A Gouasmia, D Villemin Der pharma chemica 8 (3), 117-127, 2016 | 9 | 2016 |
Density functional theory calculations and chemical reactivity of a series of dibenzylaminophenyl benzene-fused bis tetrathiafulvalenes A Bendjeddou, T Abbaz, S Maache, A Gouasmia, D Villemin Int. J. Pharm. Sci. Rev. Res. 39 (1), 136-143, 2016 | 8 | 2016 |
Synthesis and electrochemical proprieties of novel unsymmetrical bis-tetrathiafulvalenes and electrical conductivity of their charge transfer complexes with … T Abbaz, A Bendjeddou, A Gouasmia, Z Regainia, D Villemin International Journal of Molecular Sciences 13 (7), 7872-7885, 2012 | 8 | 2012 |
Molecular structure, hyperpolarizability, NBO and Fukui function analysis of a serie of 1, 4, 3, 5-oxathiadiazepane-4, 4-dioxides derived of proline S Maache, A Bendjeddou, T Abbaz, A Gouasmia, D Villemin Der Pharmacia Lettre 8 (11), 27-37, 2016 | 7 | 2016 |
New unsymmetrically benzene-fused bis (tetrathiafulvalene): synthesis, characterization, electrochemical properties and electrical conductivity of their materials T Abbaz, A Bendjeddou, A Gouasmia, D Villemin, T Shirahata International Journal of Molecular Sciences 15 (3), 4550-4564, 2014 | 7 | 2014 |