M. Fatiha

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.

Theoretical study of some nitrososulfamide compounds with antitumor activity.

M. Fatiha, Khatmi Djameleddine, Seridi Soumeya, 2004, Molecules.

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 .

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.

Effect of natural and modified cyclodextrins on the excited state proton transfer of 7-hydroxy-4-methylcoumarin

H. Pérez‐Sánchez, M. Yáñez-Gascón, A. Prabhu, 2018, Journal of Molecular Liquids.

Encapsulation of phenylalanine and 3,4-dihydroxyphenylalanine into β-cyclodextrin: Spectral and molecular modeling studies

M. Raj, A. Prabhu, G. S. S. Kumar, 2015 .

Theoretical approach in the study of the inclusion processes of sulconazole with β-cyclodextrin

D. Khatmi, M. Fatiha, L. Largate, 2010 .

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 .

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 .

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 .

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.