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) 777–782. ISSN:01677322. Volume 222. Journal of Molecular Liquids.URL :

2.  Lahcene Abdelmalek, MADI Fatiha, NOUAR Leila, Cherait Mouna, MERABAT Nora, KHATMI Djameleddine” Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis ” 224 (2016) 62–71.ISSN:01677322.Journal of Molecular Liquids. URL :


1MADI Fatiha, BOUNEFLA FaizaKIRATI Ichraf, NOUAR Leila, KHATMI Djameleddine.” TD-DFT Calculations of Visible Spectra and Structural Studies of Carbendazim Inclusion Complex with Cucurbit '7' Uril” 50  (2015) 37–42.ISSN: 1876-1070 .Journal of the Taiwan Institute of Chemical Engineers.URL :

2MERABET Nora, MADI Fatiha, NOUAR Leila, HAIAHEM Sakina, KHATMI Djameleddine,YOUGHOURTA Belhocine.“ Density functional study of inclusion complex of Albendazole/cucurbit [7]uril: Structure,         electronic properties, NBO, GIAO and TD-DFT analysis”. 211 (2015) 40–47. ISSN:01677322.Journal of Molecular Liquids.URL :

3Imene DJILANI, Fatiha MADI , Sakina HAIAHEM, Mouhamed RAHIM, Djameleddine KHATMI , Abdelaziz BOUHADIBA.” Theoretical Investigation to Characterize the Inclusion Complex of α-Lipoic Acid and β-     Cyclodextrin ” 18 (2015),170-177.ISSN: 1631-0748. Comptes Rendus Chimie.URL :

4.  Ouassila ATTOUI- YAHIA, Djameleddine KHATMI, Khairedine KRAIMFouad FERKOUS .” Hydrogen Bonding Investigation in Pyridoxine/ β- Cyclodextrin Complex Based on QTAIM and NBO approaches ”47 (2015), 91-98.ISSN: 1876-1070.Journal of the Taiwan Institute of Chemical Engineers.URL : 

5.  Rayenne DJEMIL,Ouassila ATTOUI- YAHIA, Djameleddine 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.  I.Lafifi and D.Khatmi.” Chapter 13-Theoretical Investigation of the Intramolecular H-Bonding on Tautomerism” 68 (2014),257-268. ISSN: 1097-461X .Journal of Quantum Chemistry .URL:

 2.   I. Djilani, L. Nouar, F. Madi, S. Haiahem, A. Bouhadiba,and D.Khatmi.” Chapter 15- Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by β-Cyclodextrin”. 68 (2014),279-291. ISSN: 1097- 461X .Journal of Quantum Chemistry.URL:

3.   M. Rahim, F. Madi, L. Nouar, S. Haiahem, D. Fateh and D. Khatmi.” Chapter 14- β-Cyclodextrin Interaction with Edaravone Molecular Modeling Study”. 68 (2014),269-278. ISSN: 1097-461X. Journal of Quantum Chemistry.URL :

4.  Mouhamed Rahim, Fatiha Madi, Leila Nouar, Abdelazize Bouhdiba, Sakina Haiahem, Djemeleddine Khatmi,YoughourtaBelhocine.“Driving Forces and Electronic Structure in β- Cyclodextrin/3,3΄Diaminodiphenylsulphone Complex”.199 (2014), 501-510. ISSN:01677322.Journal of Molecular Liquids.URL :

5.   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

6.   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 :



1Sakina HIAHEM, Leila NOUAR, Imen DJILANI, Abdelaziz BOUHDIBA, Fatiha MADI and KHATMI Djameleddine,"Host-Guest complex between b-cyclodextrin and paeonol: a theoretical approach".16 (2013) 372-379  ISSN: 1631-0748. Comptes Rendus Chimie.URL :

2BOUHDIBA Abdelaziz, NOUAR Leila, HAIAHEM Sakina, DJILANI Imen, MADI Fatiha and KHATMI Djameleddine, "Theoretical investigation study based on PM3MM and ONIOM2 calculations of b cyclodextrin complexes with diphenylamine".77 (2013) 455-462. ISSN :0923-0750.Journal of inclusion phenomenon and macrocyclic chemistry.

3.  DJILANI Imen, NOUAR Leila, MADI Fatiha, Bouhdiba Abdelaziz and KHATMI Djameleddine, "Inclusion complexes of ortho-anisidine and b-cyclodextrin: a quantum mechanics calculations".16 (2013) 696-703.ISSN: 1631-0748.Comptes Rendus Chimie.URL : 

4.  MADI Fatiha, KHATMI 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.

5.  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.  HAIAHEM sakina, BOUHDIBA abdelaziz, NOUAR Leila, DJILANI Imen, MADI Fatiha and KHATMI djameleddine.”Molecular docking study on ß-cyclodextrin interactions of metobromuron and [3-(p-bromophenyl)-1- methoxy-1-methylurea]”.74(2012)191-200.ISSN :0923-0750.Journal of inclusion phenomenon and macrocyclic chemistry.

3.  BENGHODBANE Soraya and KHATMI Djameleddine,"A theoretical study on the inclusion complexation od doxycycline with Crysmeb".15(2012)371-377.ISSN: 1631-0748.Comptes Rendus Chimie.URL :

4.  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.

5.   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.

6.  Nassima MALAM, Djameleddine KHATMI, Salah eddine AZZOUZ, Soraya BENGHODBANE and ATTOUI Ouassila Yahia,"Computational studies of 1:2 complex between retinol propionate and b cyclodextrin".73(2012) 305-312.ISSN :0923-0750.Journal of inclusion phenomenon and macrocyclic chemistry