Rayenne Djemil

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

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

Quantitative and qualitative analyses of intermolecular interactions in neutral/deprotonated aspirin@β-CD inclusion complexes: QTAIM and NBO analyses

Rayenne Djémil, N. Bensouilah, B. Bezzina, 2019, Theoretical Chemistry Accounts.

Computational insights about the dynamic behavior for the inclusion process of deprotonated and neutral aspirin in β-cyclodextrin

S. Humbel, Rayenne Djémil, D. Khatmi, 2018, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

DFT-ONIOM study of the dopamine–β-CD complex: NBO and AIM analysis

Rayenne Djemil, Ouassila Attoui-Yahia, Djameleddine Khatmi, 2015 .

In Silico Study of Selected Natural Products as SARS-CoV-2 MPro Binder: Molecular Docking and Molecular Dynamics Simulation

M. Cheriet, Rayenne Djemil, D. Khatmi̇, 2022, Polycyclic Aromatic Compounds.

Quantum Mechanical Study of Complexation of Dopamine and Epinephrine with β -Cyclodextrin Using PM6, ONIOM and NBO Analysis

Rayenne Djémil, D. Khatmi, Rayenne Djemil, 2012 .

Quantum investigation of the reaction between triplet oxygen O(3P) atom and butadiene

M. Cheriet, Boulanouar Messaoudi, Rayenne Djemil, 2023, Turkish Computational and Theoretical Chemistry.