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1

Characterization of Algerian Hassi-Messaoud asphaltene structure using Raman spectrometry and X-ray diffraction

Y. Bouhadda, D. Bormann, E. Sheu, D. Bendedouch, A. Krallafa, M. Daaou

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 563 KB

english, 2007

2

Second order Raman spectra of Algerian Hassi-Messaoud asphaltene

Y. Bouhadda, T. Fergoug, E.Y. Sheu, D. Bendedouch, A. Krallafa, D. Bormann, A. Boubguira

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 161 KB

english, 2008

3

Energetic considerations for the photoisomerization of vinyl cinnamates

S Houari, A Krallafa, F Barbet, D Bormann, B Khelifa

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 115 KB

english, 1999

4

Substitution effects on the photoisomerisation of vinyl cinnamates

S. Houari, A. Krallafa, F. Barbet, D. Bormann, B. Khelifa

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 94 KB

english, 1999

5

Some Preliminary Results on a Physico-Chemical Characterization of a Hassi Messaoud Petroleum Asphaltene

Bouhadda, Y., Bendedouch, D., Sheu, E., Krallafa, A.

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 84 KB

english, 2000

6

Feynman–Hibbs correction in classical molecular dynamics simulations of solid C 60 under a progressively raised pressure and temperature

Hammou, Z, Lebsir, F, Krallafa, A, Hadjadj, A, Bormann, D

Journal:

Modelling and Simulation in Materials Science and Engineering

Année:

2005

Langue:

english

Fichier:

PDF, 206 KB

english, 2005

7

Molecular Dynamics Simulation of Solid C60 under Progressively Raised Pressure

F. Baameur, A. Krallafa, H. Aourag, B. Khelifa

Journal:

physica status solidi (b)

Année:

2000

Langue:

english

Fichier:

PDF, 118 KB

english, 2000

8

Atomistic Simulation of the Structural, Elastic and Thermodynamic Properties of Fullerite

W. Sekkal, A. Krallafa, H. Aourag

Journal:

physica status solidi (b)

Année:

1997

Langue:

english

Fichier:

PDF, 182 KB

english, 1997

9

Ab initio investigation of the topology and properties of three-dimensional clusters of water (H2O)n

A. Sediki, F. Lebsir, L. Martiny, M. Dauchez, A. Krallafa

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 436 KB

english, 2008

10

Theoretical and vibrational spectroscopic analysis of the stretching mode of cholesteryl alkanoates: The particular case of the cholesteryl acetate

A. Zanoun, F. Hamza Reguig, M. Belhakem, A. Krallafa, A. Belaidi, D. Bormann, G. Vergoten

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2005

Langue:

english

Fichier:

PDF, 182 KB

english, 2005

11

Phototransformation studies of halo-substituted cinnamates by Raman spectrometry and quantum-chemical computations

B. Bounaceur, D. Bendedouch, A. Krallafa, D. Bormann

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2008

Langue:

english

Fichier:

PDF, 782 KB

english, 2008

12

Theoretical study of the νO–H IR spectra for the hydrogen bond dimers from the polarized spectra of glutaric and 1-naphthoic acid crystals: Fermi resonances effects

Mohamed El Amine Benmalti, Abdelghani Krallafa, Najeh Rekik, Mostefa Belhakem

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2009

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2009

13

Basicity of the aziridine, solvent and substituent effects: A theoretical study

R. Hadjadj-Aoul, A. Bouyacoub, A. Krallafa, F. Volatron

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 171 KB

english, 2008

14

Theoretical investigations of CH4, C2H6, CO2 and N2 guest molecules into a dodecahedron water cluster cavities

F. Lebsir, A. Bouyacoub, D. Bormann, A. Krallafa

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 739 KB

english, 2008

15

Conformational influence on the CO stretching mode in cholesteryl alkanoates studied by Raman spectroscopy

S Bresson, D Bormann, B Khelifa, F.Hamza Reguig, A Krallafa

Journal:

Vibrational Spectroscopy

Année:

1999

Langue:

english

Fichier:

PDF, 239 KB

english, 1999

16

Theoretical Investigations and Mechanisms of the Inclusion Processes of bi(3-sulfonatophenyl) (4-tert-butylphenyl) phosphine in the β-cyclodextrin

N. Chekirou, A. Krallafa, A. Bormann

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 347 KB

english, 2005

17

Isothermal isobaric molecular dynamics simulation of water

M. Amrani, D. Bendeddouch, D. Bormann, A. Krallafa

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2008

Langue:

english

Fichier:

PDF, 298 KB

english, 2008

18

Theoretical Investigations of the Inclusion Processes of (4-tert-butylphenyl) (3-sulfonatophenyl) (phenyl) Phosphine in β-Cyclodextrin

N. Blidi Boukamel, A. Krallafa, D. Bormann, L. Caron, M. Canipelle, S. Tilloy, E. Monflier

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 269 KB

english, 2002

19

The particular behavior of the cholesteryl acetate by Raman spectroscopy studies in the spectral range 1700–1780 cm−1

S Bresson, B Khelifa, F Hamza Reguig, A Krallafa

Journal:

Materials Chemistry and Physics

Année:

2000

Langue:

english

Fichier:

PDF, 119 KB

english, 2000

20

Proton transfer mechanisms and consequent structural changes involved in the cholesteryl acetate, a new reaction path

F Hamza Reguig, A Krallafa, D Bormann

Journal:

Computational Materials Science

Année:

2001

Langue:

english

Fichier:

PDF, 323 KB

english, 2001

21

Electronic and structural properties of cholesteryl acetates

F.Hamza Reguig, A. Krallafa, D. Bormann, B. Khelifa

Journal:

Computational Materials Science

Année:

1998

Langue:

english

Fichier:

PDF, 501 KB

english, 1998

22

Proton transfer mechanisms and structural changes in the cholesteryl acetate

F Hamza Reguig, A Bouyacoub, A Krallafa, D Bormann, S Bresson, B Khelifa

Journal:

Computational Materials Science

Année:

1999

Langue:

english

Fichier:

PDF, 455 KB

english, 1999

23

Theoretical and experimental study of the tetracain/β-cyclodextrin inclusion complex

N. L. Chekirou, I. Benomrane, F. Lebsir, A. M. Krallafa

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 861 KB

english, 2012

24

Gibbs-Duhem relation and invariance of mass action law toward competitive reactions

Henri-Rousseau, O, Deumie, M., Krallafa, A.

Journal:

Journal of Chemical Education

Année:

1986

Langue:

english

Fichier:

PDF, 1.78 MB

english, 1986

25

A new approach to sputtering simulations from rare gas solids

Krallafa, A. M., Clarke, J. H. R.

Journal:

The Journal of Chemical Physics

Année:

1989

Langue:

english

Fichier:

PDF, 708 KB

english, 1989

26

Cholesteric liquid crystals with a helical pitch gradient: Spatial distribution of the concentration of chiral groups by Raman mapping in relation with the optical response and the microstructure

Belalia, M., Mitov, M., Bourgerette, C., Krallafa, A., Belhakem, M., Bormann, D.

Journal:

Physical Review E

Année:

2006

Langue:

english

Fichier:

PDF, 222 KB

english, 2006

27

Molecular dynamics of the salt dependence of a cold-adapted enzyme: endonuclease I

Benrezkallah, D., Dauchez, M., Krallafa, A.M.

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

2015

Langue:

english

Fichier:

PDF, 902 KB

english, 2015

28

AIP Conference Proceedings [AIP THEORY AND APPLICATIONS IN COMPUTATIONAL CHEMISTRY: THE FIRST DECADE OF THE SECOND MILLENNIUM: International Congress TACC-2012 - Pavia, Italy (2–7 September 2012)] - Molecular dynamics simulation of water in the low temperature region

Krallafa, A., Adda, A., Seddiki, A., Dauchez, M.

Année:

2012

Langue:

english

Fichier:

PDF, 242 KB

english, 2012

29

Born Oppenheimer Molecular Dynamics calculation of the ν O-H IR spectra for acetic acid cyclic dimers

Benmalti, Mohamed El Amine, Krallafa, Abdelghani, Gaigeot, Marie-Pierre

Journal:

Journal of Physics Conference Series

Année:

2015

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2015

30

Ab initio molecular dynamics investigation of proton delocalization in crown ether complexes with H3O+and NH4+

Taleb Bendiab, W., Hamza Reguig, F., Hamad, S., Martínez-Haya, B., Krallafa, A. M.

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 2.47 MB

english, 2016

31

Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation

Drici, Nedjoua, Krallafa, Mohamed Abdelghani

Journal:

JBIC Journal of Biological Inorganic Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 697 KB

english, 2017

32

[AIP IV INTERNATIONAL CONFERENCE TIMES OF POLYMERS (TOP) AND COMPOSITES - Ischia (Italy) (21–24 September 2008)] AIP Conference Proceedings - Synthesis and Characterization of Amphiphilic Graft Copolymers of Poly (1,3dioxolane) Macromonomers with Styrene and Methyl Methacrylate

Bendaikha, H., Clisson, G., Khoukh, A., François, J., Kada, S. Ould, Krallafa, A., D’Amore, Alberto, Acierno, Domenico, Grassia, Luigi

Année:

2008

Langue:

english

Fichier:

PDF, 576 KB

english, 2008

33

A theoretical study of atropisomerism in N-(2-methylphenyl)-N′-(2-methylphenyl) thiourea and its inclusion in the β-cyclodextrin

Touadjine, A. M., Mostefai, A., Rahmouni, A., Humbel, S., Krallafa, A.

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 2.87 MB

english, 2017

34

Ab-initio molecular dynamics and vibrational Raman spectroscopy investigations of quartz polymorph at high temperature

Sediki, Hayet, Simon, Patrick, Hadjadj, Aomar, Krallafa, Abdelghani M.

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Année:

2017

Langue:

english

Fichier:

PDF, 1.84 MB

english, 2017

35

Structure and dynamics of the peptide strand KRFK from the thrombospondin TSP-1 in water

Taleb Bendiab, W., Benomrane, B., Bounaceur, B., Dauchez, M., Krallafa, A. M.

Journal:

Journal of Molecular Modeling

Année:

2018

Langue:

english

Fichier:

PDF, 4.97 MB

english, 2018

36

Temperature effect on the structure and conformational fluctuations in two zinc knuckles from the mouse mammary tumor virus.

Drici, Nedjoua, Krallafa, Abdelghani Mohamed

Journal:

Computational Biology and Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2018

37

Ab initio static and metadynamics investigations of the Wittig reaction

Adda, Abdelghani, Hadjadj-Aoul, Ratiba, Lebsir, Fouad, Krallafa, Abdelghani Mohamed

Journal:

Theoretica Chimica Acta

Année:

2018

Langue:

english

Fichier:

PDF, 5.13 MB

english, 2018

38

[AIP IV INTERNATIONAL CONFERENCE TIMES OF POLYMERS (TOP) AND COMPOSITES - Ischia (Italy) (21–24 September 2008)] AIP Conference Proceedings - Swelling behavior and viscoelastic properties of a Polyacetal Hydrogel

Bendaikha, H., Chaoui, S., Kada, S. Ould, Krallafa, A., D’Amore, Alberto, Acierno, Domenico, Grassia, Luigi

Année:

2008

Langue:

english

Fichier:

PDF, 334 KB

english, 2008