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nouar leila
nouar leila
Professeur de Chimie, Université 8 Mai 1945 Guelma,Algérie
Adresse e-mail validée de univ-guelma.dz
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Density functional theories study of the interactions between host β-Cyclodextrin and guest 8-Anilinonaphthalene-1-sulfonate: Molecular structure, HOMO, LUMO, NBO, QTAIM and …
H Safia, L Ismahan, G Abdelkrim, C Mouna, N Leila, M Fatiha
Journal of Molecular Liquids 280, 218-229, 2019
482019
Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis
L Abdelmalek, M Fatiha, N Leila, C Mouna, M Nora, K Djameleddine
Journal of Molecular Liquids 224, 62-71, 2016
352016
Density functional study of inclusion complex of Albendazole/cucurbit [7] uril: Structure, electronic properties, NBO, GIAO and TD-DFT analysis
M Nora, M Fatiha, N Leila, H Sakina, K DjamelEddine
Journal of Molecular Liquids 211, 40-47, 2015
322015
Host-guest inclusion complex between β-cyclodextrin and paeonol: A theoretical approach
S Haiahem, L Nouar, I Djilani, A Bouhadiba, F Madi, DE Khatmi
Comptes Rendus. Chimie 16 (4), 372-379, 2013
272013
Driving forces and electronic structure in β-cyclodextrin/3, 3′-diaminodiphenylsulphone complex
M Rahim, F Madi, L Nouar, A Bouhadiba, S Haiahem, DE Khatmi, ...
Journal of Molecular Liquids 199, 501-510, 2014
262014
Host-guest interaction between tyrosine and β-cyclodextrin: Molecular modeling and nuclear studies
A Bouhadiba, Y Belhocine, M Rahim, I Djilani, L Nouar, DE Khatmi
Journal of Molecular Liquids 233, 358-363, 2017
242017
Theoretical study of inclusion complexation of 3-amino-5-nitrobenzisothiazole with β-cyclodextrin
N Leila, H Sakina, A Bouhadiba, F Madi
Journal of Molecular Liquids 160 (1), 8-13, 2011
242011
Interactions in inclusion complex of β-cyclodextrin/l-Metheonine: DFT computational studies
M Nora, L Ismahan, G Abdelkrim, C Mouna, N Leila, M Fatiha, B Nada, ...
Journal of Inclusion Phenomena and Macrocyclic Chemistry 96, 43-54, 2020
232020
Molecular docking study on β-cyclodextrin Interactions of metobromuron and [3-(p-bromophenyl)-1-methoxy-1-methylurea]
H Sakina, B Abdelaziz, N Leila, D Imene, M Fatiha, KD Eddine
Journal of Inclusion Phenomena and Macrocyclic Chemistry 74 (1), 191-200, 2012
232012
Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit [n] urils (n= 7, 8) using DFT-D3 correction dispersion
D Imane, N Leila, M Fatiha, G Abdelkrim, C Mouna, L Ismahan, ...
Journal of Molecular Liquids 309, 113233, 2020
222020
Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations
K Rayene, D Imane, B Abdelaziz, N Leila, M Fatiha, G Abdelkrim, ...
Journal of Molecular Structure 1249, 131565, 2022
212022
Computational study of inclusion complex of l-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations
L Ismahan, N Leila, M Fatiha, G Abdelkrim, C Mouna, B Nada, H Brahim
Journal of Molecular Structure 1206, 127740, 2020
212020
Molecular modeling investigation of para-nitrobenzoic acid interaction in β-cyclodextrin
N Leila, H Sakina, A Bouhadiba, M Fatiha, L Leila
Journal of Molecular Liquids 160 (1), 1-7, 2011
212011
Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations
A Bouhadiba, S Rahali, Y Belhocine, H Allal, L Nouar, M Rahim
Carbohydrate research 491, 107980, 2020
172020
DFT investigation of host–guest interactions between α-Terpineol and β-cyclodextrin
H Bouchemela, F Madi, L Nouar
Journal of Inclusion Phenomena and Macrocyclic Chemistry 95 (3), 247-258, 2019
172019
Theoretical study of the inclusion processes of ethyl p-hydroxybenzoate with β-cyclodextrin: PM3MM and ONIOM2 calculations
M Fatiha, L Leila, N Leila, KD Eddine
Journal of the Taiwan Institute of Chemical Engineers 43 (6), 868-872, 2012
172012
Azo-methoxy-calix [4] arene complexes with metal cations for chemical sensor applications: Characterization, QTAIM analyses and dispersion-corrected DFT-computations
B Gassoumi, M Echabaane, FEB Mohamed, L Nouar, F Madi, A Karayel, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 264, 120242, 2022
152022
Spectroscopic characterization, host-guest charge transfer, Hirshfeld surfaces, AIM-RDG and ELF study of adsorption and chemical sensing of heavy metals with new derivative of …
B Gassoumi, A Mehri, H Hammami, ME Castro, A Karayel, S Özkınalı, ...
Materials Chemistry and Physics 278, 125555, 2022
142022
In silico exploration of OH… X2+ (X= Cu, Ag, Hg) interaction, targeted adsorption zone, charge density iso-surface, OH proton analysis and topographic parameters theory for …
B Gassoumi, FEB Mohamed, ME Castro, FJ Melendez, A Karayel, ...
Journal of Molecular Liquids 334, 116127, 2021
142021
Computational investigation of vanillin@ βéta-cyclodextrin inclusion complex: Electronic and intermolecular analysis
G Meryem, K Rabah, M Fatiha, N Leila, BA Aziz, D Imane, M Rachid
Journal of Molecular Liquids 321, 114839, 2021
132021
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