1.  Abdelaziz BOUHADIBA, Youkhourta BELHOCINE, Mohamed RAHIM, Imene DJILANI, Leila NOUAR, Djameleddine KHATMI,” Host - Guest Interaction Between Tyrosine and Beta- Cyclodextrin: Molecular Modeling and nuclear studies”, 233 (2017) 358-363, Journal of Molecular Liquids. URL :

2.  Mouna CHERIET, Fatiha MADI, Leila NOUAR, Ismahan LAFIFI, Safia HIMRI, Nora MERABET, Djameleddine KHATMI, “ A DFT Study of Inclusion Complexes of the Antituberculosis Drugs Pyrazinamide and Isoniazid with cucurbit [7]uril”, 89(2017) 127-136, Journal of inclusion phenomenon and macrocyclic chemistry



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.  Amal ZABOUB,,Fatiha MADI, Rachid MERDES, Messaouda MOHAMEDI, Leila NOUAR” A combined DFT and experimental study of proline/β-cyclodextrin inclusion complex” 216 (2016) 716–723ISSN:01677322. Journal of Molecular Liquids. URL :

3.  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. Volume 211, ISSN:01677322Journal 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.  Zekri  Kamel  EddineMADI  Fatiha, Zaboub  Amal, NOUAR  Leila, Merdes  Rachid., “Investigation  of  the  inclusion  complex  of  tolfenamic  acid  with β -cyclodextrin:  Geometry  and  NBO  analysis”. ISSN: 1631-0748. Comptes Rendus Chimie. URL :



 1.   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:

2.   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 :

3.  Mouhamed RAHIM, Fatiha MADI, Leila NOUAR, Abdelazize BOUHDIBA, Sakina HAIAHEM, Djemeleddine KHATMI,Youghourta BELHOCINE.“Driving Forces and Electronic Structure in β- Cyclodextrin/3,3΄Diaminodiphenylsulphone Complex”.199 (2014), 501-510. ISSN:01677322. Journal of Molecular Liquids. URL :

4.  LARGATE Leila, MADI Fatiha, KHATMI Djameleddine and NOUAR Leila.“Investigation of the Inclusion Processes of N-Acetyl-4-Aminophenol with Me- βCyclodextrin;AComputationalStudy”.45(2014),387-392, . ISSN: 1876-1070.  Journal of the Taiwan Institute of Chemical Engineers. URL :



1.  Sakina 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.



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 :

2HAIAHEM 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.