1Mansour Mohamed Bounaba, Khatmi Djameleddine, Humbel Stephane, Rayenne Djémil,Madi Fatiha, Nouar Leila ”Molecular dynamics and quantum mechanics study of the[2-oxo-N-phenyl-3-oxazolidinesulfonamide@β-cyclodextrin] complex” 222 (2016) 777–782ISSN:01677322. Volume 222. Journal of Molecular Liquids.URL :



1.  Rayenne DJEMIL,Ouassila ATTOUI- YAHIADjameleddine KHATMI .” DFT-ONIOM Study of the Dopamine -β- CD Complex : NBO  and AIM Analysis” 93 (2015), 11-15. Vol. 93 Issue 10. Canadian Journal of Chemistry.



1.   LACHI Nadia, KHATMI Djameleddine and DJÉMIL  Rayenne“Theoretical Study of Inclusion Processes of Octopamine with β- Cyclodextrin : PM6, ONIOM, and NBO analysis ”. 17(2014),1169 -1175. ISSN: 1631-0748.Comptes Rendus Chimie.URL :

2.   LARGATE Leila, Madi Fatiha, Khatmi Djameleddine and Nouar Leila.“Investigation of the Inclusion Processes of N-Acetyl-4-Aminophenol with Me- β- Cyclodextrin;AComputationalStudy”.45(2014),387-392, . ISSN: 1876-1070.  Journal of the Taiwan Institute of Chemical Engineers.URL :



1.  MADI FatihaKHATMI Djameleddine, NOUAR Leila and LARGATE Leila, "Computational study on the encapsulation of ethyl paraben into b-cyclodextrin". 76 (2013) 379-384. ISSN :0923-0750. Journal of inclusion phenomenon and macrocyclic chemistry.

2.  MADI Fatiha, KHATMI Djameleddine and LARGATE Leila,"Computational investigation of enol/ketol chlorampenicol with b-cyclodextrin".77 (2013) 421-427. ISSN :0923-0750. Journal of inclusion phenomenon and macrocyclic chemistry 



1.  MADI fatiha, LARGATE Leila, NOUAR Leila and KHATMI djameleddine, "Theoretical study of the inclusion processes of ethyl p-hydroxybenzoate with ß-cyclodextrin: PM3MM and ONIOM2 calculations".43 (2012) 868-872. . ISSN: 1876-1070. Journal of the Taiwan institute of chemical engineers.URL :

2.  Samah HADJAR and KHATMI Djameleddine," Electronic structure and H-bond interactions in b/cyclodextrin / piroxicam complex".9 (2012) 1-6. ISSN: 1546-1955 . Journal of computational and theoretical Nanoscience.

3.   DJEMIL Rayenne and KHATMI Djameleddine."Quantum mechanical study of complexation of dopamine and epinephrine with b-cyclodextrin using PM6, ONIOM2 and NBO".9 (2012) 1571-1576. ISSN: 1546-1955 Journal of computational and theoretical Nanoscience.