Nouar Leila

发表

Computational approach in the study of the inclusion processes of Thymol with β-cyclodextrin

Moukhtari Abdelaali, M. Fatiha, Nouar Leila, 2017 .

Effect of solvent on absorption and emission spectra of 2,2’-Bipyridine and its inclusion complexinto β-cyclodextrin: DFT and TD-DFT study

M. Fatiha, Nouar Leila, Amrani Salma, 2021, Computational and Theoretical Chemistry.

Computational investigation of vanillin@βéta-cyclodextrin inclusion complex: Electronic and intermolecular analysis

M. Fatiha, Nouar Leila, Gheribi Meryem, 2020 .

Investigation of 3D Contour Map and Intermolecular Interaction of Dopamine with β-Cyclodextrin and 2-Hydroxypropyl-β-cyclodextrin

H. Pérez‐Sánchez, M. Yáñez-Gascón, M. Periago, 2018, Journal of Solution Chemistry.

Molecular modeling study of structures, Hirschfield surface, NBO, AIM, RDG, IGM and 1HNMR of thymoquinone/hydroxypropyl-β-cyclodextrin inclusion complex from QM calculations

B. Abdelaziz, M. Fatiha, Nouar Leila, 2022, Journal of Molecular Structure.

Density functional study of inclusion complex of Albendazole/cucurbit [7]uril: Structure, electronic properties, NBO, GIAO and TD-DFT analysis

M. Fatiha, Nouar Leila, M. Nora, 2015 .

Adsorption of toxic and non-toxic metals with new model of CX[4]: Experimental and computational investigation, Spectroscopic, QTAIM, and Antibacterial activity analyses

R. Chaâbane, F. Melendez, M. Castro, 2022, Journal of Molecular Structure.

Structural Aspects and Stability of Interactions between Phenyl-3,3'-Bis(Indolyl)Methanes and β-Cyclodextrin from Density Functional Theory

K. Sathiyaseelan, A. Prabhu, G. S. S. Kumar, 2022, Polycyclic Aromatic Compounds.

Molecular dynamics and quantum mechanics study of the [2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex

Rayenne Djémil, M. Fatiha, Nouar Leila, 2016 .

TD-DFT calculations of visible spectra and structural studies of carbendazim inclusion complex with cucurbit[7]uril

M. Fatiha, Nouar Leila, Khatmi Djamel Eddine, 2015 .

Investigation of intermolecular interactions in inclusion complexes of pyroquilon with cucurbit[n]urils (n = 7,8) using DFT-D3 correction dispersion

M. Fatiha, Nouar Leila, Cheriet Mouna, 2020, Journal of Molecular Liquids.

Computational investigation of enol/keto chloramphenicol with β-cyclodextrin

M. Fatiha, Nouar Leila, Khatmi Djamel Eddine, 2013, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Computational study on the encapsulation of ethylparaben into β-cyclodextrin

M. Fatiha, Nouar Leila, Khatmi Djamel Eddine, 2013, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Theoretical study of the inclusion processes of ethyl p-hydroxybenzoate with β-cyclodextrin: PM3MM and ONIOM2 calculations

M. Fatiha, Nouar Leila, Khatmi Djamel Eddine, 2012 .

Interaction of chloroquine with 2-(hydroxypropyl)-β-cyclodextrin through the supramolecular assembly for cytotoxicity on breast cancer cell lines

A. Anitha, M. Murugan, R. Rajamohan, 2022, Monatshefte für Chemie - Chemical Monthly.

Molecular modeling investigation of para-nitrobenzoic acid interaction in β-cyclodextrin

M. Fatiha, Nouar Leila, H. Sakina, 2011 .

Molecular docking study on β-cyclodextrin Interactions of metobromuron and [3-(p-bromophenyl)-1-methoxy-1-methylurea]

B. Abdelaziz, M. Fatiha, Nouar Leila, 2012, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis

M. Fatiha, Nouar Leila, M. Nora, 2016 .

Investigation of the inclusion complex of tolfenamic acid with β-cyclodextrin: Geometry and NBO analysis

M. Fatiha, Nouar Leila, M. Rachid, 2015 .

Inclusion complexes of ortho-anisidine and β-cyclodextrin: A quantum mechanical calculation

B. Abdelaziz, Nouar Leila, Khatmi Djameleddine, 2013 .

Theoretical investigation study based on PM3MM and ONIOM2 calculations of β-Cyclodextrin complexes with diphenylamine

B. Abdelaziz, M. Fatiha, Nouar Leila, 2013, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Theoretical Study of the Inclusion Processes of the Phenylurea Herbicide Metobromuron in ß-cyclodextrin

B. Abdelaziz, M. Fatiha, Nouar Leila, 2011 .

Theoretical study of inclusion complexation of 3-amino-5-nitrobenzisothiazole with β-cyclodextrin

Nouar Leila, F. Madi, H. Sakina, 2011 .

The inclusion behavior of 8-Anilino-1-naphthalene sulfonate into Cucurbit[7]uril: A DFT approach

M. Fatiha, Nouar Leila, H. Safia, 2020 .

Density functional theories study of the interactions between host β-Cyclodextrin and guest 8-Anilinonaphthalene-1-sulfonate: Molecular structure, HOMO, LUMO, NBO, QTAIM and NMR analyses

M. Fatiha, Nouar Leila, Cheriet Mouna, 2019, Journal of Molecular Liquids.

Computational study of inclusion complex of l-Glutamine/beta-Cycldextrin: Electronic and intermolecular interactions investigations

M. Fatiha, Nouar Leila, Cheriet Mouna, 2020, Journal of Molecular Structure.

Interactions in inclusion complex of β-cyclodextrin/l-Metheonine: DFT computational studies

M. Fatiha, Nouar Leila, M. Nora, 2019, Journal of Inclusion Phenomena and Macrocyclic Chemistry.