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- Publications
- Influence
Hyperfine excitation of HCN by H2 at low temperature
- D. B. Abdallah, F. Najar, N. Jaidane, F. Dumouchel, F. Lique
- Physics
- 21 January 2012
Modelling of molecular emission spectra from interstellar clouds requires the calculation of rate coefficients for (de-)excitation by collisions with the most abundant species. We calculate rate… Expand
Solvent effects on the antioxidant activity of 3,4-dihydroxyphenylpyruvic acid : DFT and TD-DFT studies
- J. J. Fifen, J. J. Fifen, +4 authors N. Jaidane
- Chemistry
- 1 June 2011
In the human body, free radicals or reactive oxygen species (ROS) can be generated excessively and lead thereafter to many diseases. However, it was proved that 3,4-dihydroxyphenylpyruvic acid… Expand
Kinetic study of the reaction H2O2 + H → H2O + OH by ab initio and density functional theory calculations
- H. Koussa, M. Bahri, N. Jaidane, Z. B. Lakhdar
- Chemistry
- 29 September 2006
Abstract Theoretical investigations on the kinetics of the elementary reaction H2O2+H→H2O+OH were performed using the transition state theory (TST). Ab initio (MP2//CASSCF) and density functional… Expand
Low-Temperature Rate Constants for Rotational Excitation and De-excitation of C3 (X1Σg+) by Collisions with He (1S)
- D. B. Abdallah, K. Hammami, +5 authors M. Hochlaf
- Physics
- 10 October 2008
The low-temperature rotational (de-) excitation of C3 (X1Σg+) by collisions with He (1S) is studied using an ab initio potential energy surface (PES). This PES has been calculated using the single-… Expand
Rotational excitation of HOCO+ by helium at low temperature
- K. Hammami, F. Lique, N. Jaidane, Z. B. Lakhdar, A. Spielfiedel, N. Feautrier
- Physics
- 1 February 2007
Context. It has been shown that the HOCO + ion is present in interstellar space. As a large number of HOCO + lines can be observed in the millimeter and submillimeter wavelengths, this molecule is a… Expand
Electronic states of MgO: Spectroscopy, predissociation, and cold atomic Mg and O production.
- A. Maatouk, A. Ben Houria, O. Yazidi, N. Jaidane, M. Hochlaf
- Chemistry, Medicine
- The Journal of chemical physics
- 8 October 2010
We used multiconfigurational methods and a large basis set to compute the potential energy curves of the valence and valence-Rydberg electronic states of MgO molecule. New bound electronic states are… Expand
Theoretical radiative properties between states of the triplet manifold of NH radical.
- L. C. Owono Owono, D. Ben Abdallah, N. Jaidane, Z. B. Lakhdar
- Chemistry, Medicine
- The Journal of chemical physics
- 28 February 2008
Ab initio transition dipole moments between states of the triplet manifold of NH radical are determined at the complete active space self-consistent field, followed by the internally contracted… Expand
Kinetic study of the hydrogen abstraction reaction H2O2+H→H2+HO2 by ab initio and density functional theory calculations
- Y. Tarchouna, M. Bahri, N. Jaidane, Z. B. Lakhdar
- Chemistry
- 16 January 2006
Abstract A theoretical kinetic study of the elementary chemical reaction involving hydrogen atom abstraction from hydrogen peroxide by hydrogen atom leading to H 2 molecule and HO 2 radical was… Expand
Modélisation moléculaire et calcul des fréquences de vibration du sous-réseau perovskite dans CH3NH3PbCl3
- A. Maalej, M. Bahri, Y. Abid, N. Jaidane
- Physics
- 1999
The perovskite CH3NH3PbCl3 presents two low-temperature phase transitions The various phases are characterized by Raman scattering. We restrict ourselves to the low-frequency domain (10250 cm1),… Expand