Publications Internationales

 

2016

1.  Mansour 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 :http://www.elsevier.com/locate/molliq

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 :http://www.elsevier.com/locate/molliq

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 :http://www.elsevier.com/locate/molliq

 

2015

1.  Zekri  Kamel  Eddine,  MADI  Fatiha, Zaboub  Amal, NOUAR  Leila, Merdes  Rachid., “Investigation  of  the  inclusion  complex  of  tolfenamic  acid  with β -cyclodextrin:  Geometry  and  NBO  analysis”. Comptes Rendus Chimie.  http://www.sciencedirect.com 

2.  Ouassila  Attoui-Yahia, Djameleddine  Khatmi, Khairedine  Kraim,  Fouad  Ferkous, “Hydrogen  bonding  investigation  in  Pyridoxine/ β –cyclodextrin complex  based  on  QTAIM  and  NBO  approaches”. Journal of the Taiwan  Institute of Chemical  Engineers. http:// www.elsevier.com/locate/jtice

3.  Rayenne Djemil, Ouassila Attoui-Yahia, and Djameleddine Khatmi, “DFT-ONIOM study of the dopamine –β -CD complex: NBO and AIM analysis”. http://Canadienne de Chimie

4.  Imene Djilani,  Fatiha  Madi, Leila  Nouar,  Sakina  Haiahem,  Mohamed  Rahim, Djamel Eddine  Khatmi,  Abdelaziz  Bouhadiba, “Theoretical  investigation  to  characterize  the  inclusion complex  of  a-lipoic  acid  and  β -cyclodextrin”. Comptes Rendus Chimie . http:// www.sciencedirect.com

5.  Merabet Nora, Madi Fatiha, Nouar Leila, Haiahem Sakina, Khatmi DjamelEddine,  “Density functional study of inclusion complex of Albendazole/cucurbit [7]uril: Structure, electronic properties, NBO, GIAO and TD-DFT analysis”. Journal of Molecular Liquids.  http:// www.elsevier.com/locate/molliq

6.  Madi Fatiha, Bounefla Faiza, Kirati Ichraf, Nouar Leila, Khatmi Djamel Eddine, “  TD-DFT calculations of visible spectra and structural studies of carbendazim inclusion complex with cucurbit[7]uril ”. Journal of the Taiwan Institute of Chemical Engineers. http://www.elsevier.com/locate/jtice

7.  A. Antony Muthu Prabhu, G.S. Suresh Kumar, Madi Fatiha, S. Sorimuthu M. Sundar Raj, “Encapsulation of phenylalanine and 3,4-dihydroxyphenylalanine into β -cyclodextrin: Spectral and molecular modeling studies”. Journal of Molecular Structure. http:// www. elsevier.com/locate/molstruc

 

2014

1.  I. LAFIFI, D. KHATMI “Chapter 13-Theoretical Investigation of the Intramolecular H-Bonding on Tautomerism”. Volume 68 (2014), Pages 257-268, Advances in Quantum Chemistry. 

http: //www.elsevier.com/locate/permissionusematerial

2.  I. DJILANI, L. NOUAR, F. MADI, S. HAIAHEM, A. BOUHADIBA, D. KHATMI “Chapter 15- Molecular Modeling Study of Neutral and Cationic Species of Ortho-Anisidine by β- Cyclodextrin”. Volume 68 (2014), Pages 279-291, Advances in Quantum Chemistry. http: //www.elsevier.com/locate/permissionusematerial

3.  M. RAHIM, F. MADI, L. NOUAR, S. HAIAHEM, D. FATEH, D. KHATMI “Chapter 14- β- Cyclodextrin Interaction with Edaravone Molecular Modeling Study”. Volume 68 (2014), Pages 269-278, Advances in Quantum Chemistry .http://www.elsevier.com/locate/permissionusematerial

4.  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”. Volume 199 (2014), Pages 501-510, Journal of Molecular Liquids. http://www.elsevier.com/locate/molliq

5.  Lachi Nadia, Khatmi Djameleddine, Djémil  Rayenne.“Theoretical Study of Inclusion Processes of Octopamine with β- Cyclodextrin : PM6, ONIOM, and NBO analysis ”. Volume 17, Issue 12 (2014), Pages 1169 -1175, Comptes Rendus Chimie. http:// www.sciencedirect.com

6.  Largate Leila, Madi Fatiha, Khatmi Djameleddine, Nouar Leila. “Investigation of the Inclusion Processes of N-Acetyl-4-Aminophenol with Me- β- Cyclodextrin; A Computational Study”. Volume 45, Issue 2 (2014), Pages 387-392, Journal of the Taiwan Institute of Chemical Engineers. http://www.elsevier.com/locate/jtice

 

2013

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 Comptes Rendus Chimie.  http://www.sciencedirect.com

2.  BOUHDIBA 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".

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, Comptes Rendus Chimie.  http://www.sciencedirect.com

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. 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, Journal of inclusion phenomenon and macrocyclic chemistry

 

2012

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, Journal of the Taiwan institute of chemical engineers. http://www.elsevier.com/locate/jtice

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, Journal of inclusion phenomenon and macrocyclic chemistry.

3.  BENGHODBANE Soraya and KHATMI Djameleddine, "A theoretical study on the inclusion complexation of doxycycline with Crysmeb.,15 (2012) 371-377. Comptes Rendus Chimie.  http://www.sciencedirect.com

4.  Samah HADJAr and KHATMI Djameleddine," Electronic structure and H-bond interactions in b/cyclodextrin / piroxicam complex".volume 9,(2012) 1-6 . 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. 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. Journal of inclusion phenomenon and macrocyclic chemistry,