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1

Spectroscopic and electric dipole properties of the Van der Waals interaction between barium and krypton atoms

Abdessalem, Kawther, Mejrissi, Leila, Habli, Héla, Issaoui, Noureddine, Ghalla, Houcine, Oujia, Brahim

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 3.55 MB

english, 2018

2

Polarized Infrared Spectra of the H(D) Bond in 2-Thiophenic Acid Crystals: A Spectroscopic and Computational Study

Najeh Rekik, Houcine Ghalla, Henryk T. Flakus, Magdalena Jabłońska, Paul Blaise, Brahim Oujia

Journal:

Year:

2009

Language:

english

File:

PDF, 733 KB

english, 2009

3

Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3-thiophenic acid crystal

Rekik Najeh, Ghalla Houcine, Henryk T. Flakus, Magdalena Jablonska, Oujia Brahim

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 591 KB

english, 2010

4

Infrared spectral density of H-bonds within the strong anharmonic coupling theory: Indirect relaxation effect

Najeh Rekik, Noureddine Issaoui, Houcine Ghalla, Brahim Oujia, Marek J. Wójcik

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 335 KB

english, 2007

5

Gaplessness evidence in superconductive YBa2Cu3O7 shown by tunneling effect

A. Fournel, B. Oujia, J.P. Sorbier, H. Noel, J.C. Levet, M. Potel, P. Gougeon

Journal:

Physica C: Superconductivity

Year:

1988

Language:

english

File:

PDF, 101 KB

english, 1988

6

Theoretical IR spectral density of H-bond in liquid phase: Combined effects of anharmonicities, Fermi resonances, direct and indirect relaxations

Najeh Rekik, Noureddine Issaoui, Brahim Oujia, Marek J. Wójcik

Journal:

Journal of Molecular Liquids

Year:

2008

Language:

english

File:

PDF, 223 KB

english, 2008

7

Theoretical modeling of infrared spectra of the hydrogen and deuterium bond in aspirin crystal

Houcine Ghalla, Najeh Rekik, Anna Michta, Brahim Oujia, Henryk T. Flakus

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2010

Language:

english

File:

PDF, 1.31 MB

english, 2010

8

Evaluation of the adiabatic correction for LiH, RbH and CsH molecules

W. Zrafi, B. Oujia, H. Berriche, F.X. Gadea

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 459 KB

english, 2006

9

IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part I: Anharmonic coupling parameter and temperature effects

Najeh Rekik, Noureddine Issaoui, Houcine Ghalla, Brahim Oujia, Marek J. Wójcik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 1.66 MB

english, 2007

10

Infrared spectral density of hydrogen bonds within the strong anharmonic coupling theory: Quadratic dependence of the angular frequency and the equilibrium position of the fast mode

Najeh Rekik, Houcine Ghalla, Noureddine Issaoui, Brahim Oujia, Marek J. Wójcik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 1.95 MB

english, 2007

11

IR spectral density of H-bonds. Both intrinsic anharmonicity of the fast mode and the H-bond bridge. Part II: Isotopic effect

Houcine Ghalla, Najeh Rekik, Mohamed Baazaoui, Brahim Oujia, Marek J. Wójcik

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 417 KB

english, 2008

12

Anharmonic effects on theoretical IR line shapes of medium strong H(D) bonds

Noureddine Issaoui, Najeh Rekik, Brahim Oujia, Marek J. Wójcik

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 1.01 MB

english, 2009

13

Theoretical infrared line shapes of H-bonds within the strong anharmonic coupling theory and Fermi resonances effects

Noureddine Issaoui, Najeh Rekik, Brahim Oujia, Marek J. Wójcik

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 2.00 MB

english, 2010

14

Theoretical study of hydrogen and deuterium bond in glutaric acid crystal dimer

Issaoui Noureddine, Ghalla Houcine, Oujia Brahim

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 802 KB

english, 2012

15

Theoretical study of the polarized infrared spectra of the hydrogen bond in 2-furoic acid crystal dimer

Houcine Ghalla, Noureddine Issaoui, Brahim Oujia

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 1.18 MB

english, 2012

16

Dynamic study: Radiative and nonradiative lifetimes for vibrational levels of theA1∑+andC1∑+states of the alkali hydride KH

Neji Khelifi, Brahim Oujia, Florent Xavier Gadea

Journal:

Journal of Russian Laser Research

Year:

2006

Language:

english

File:

PDF, 333 KB

english, 2006

17

Theoretical study of the electronic structure of LiNa and LiNa+molecules

Neji Khelifi, Riadh Dardouri, Omar Marzook Al-Dossary, Brahim Oujia

Journal:

Journal of Russian Laser Research

Year:

2009

Language:

english

File:

PDF, 446 KB

english, 2009

18

From highly delocalized to strongly correlated domains through a unique MO into VB exponential transformation

Brahim Oujia, Marie-Bernadette Lepetit, Jean-Paul Malrieu

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 313 KB

english, 1989

19

Theoretical infrared spectral density of H-bonds in liquid and gas phases: Anharmonicities and dampings effects

Najeh Rekik, Brahim Oujia, Marek J. Wójcik

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.49 MB

english, 2008

20

Theoretical study of the MgAr molecule and its ion Mg+Ar: potential energy curves and spectroscopic constants

W. Gaied, H. Habli, B. Oujia, F. X. Gadea

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2011

Language:

english

File:

PDF, 393 KB

english, 2011

21

Ab initio study of spectroscopic properties of the calcium hydride molecular ion

H. Habli, H. Ghalla, B. Oujia, F.X. Gadéa

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2011

Language:

english

File:

PDF, 851 KB

english, 2011

22

Theoretical study of the electronic structure of LiX and NaX (X = Rb, Cs) molecules

Riadh Dardouri, Khaled Issa, Brahim Oujia, Florent Xavier Gadéa

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 264 KB

english, 2012

23

Theoretical study of the electronic structure of KLi molecule: Adiabatic and diabatic potential energy curves and dipole moments

Riadh Dardouri, Héla Habli, Brahim Oujia, Florent Xavier Gadéa

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.68 MB

english, 2012

24

Ab Initio Adiabatic and Diabatic Energies and Dipole Moments of the CaH + Molecular Ion

Habli, Héla, Dardouri, Riadh, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.54 MB

english, 2011

25

Neutral eigenstates of extended systems: Resonance of neutral VB structures or perturbation of (neel states) spin waves?

P. Blaise, J.P. Malrieu, D. Maynau, B. Oujia

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 1011 KB

english, 1988

26

Adiabatic ab Initio Study of the BaH + Ion Including High Energy Excited States

Mejrissi, Leila, Habli, Héla, Ghalla, Houcine, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.48 MB

english, 2013

27

Theoretical Simulation of the Infrared Absorption Spectrum of the Strong Hydrogen and Deuterium Bond in 2-Pyridone Dimer

Issaoui, Noureddine, Ghalla, Houcine, Oujia, Brahim

Journal:

Open Journal of Physical Chemistry

Year:

2012

Language:

english

File:

PDF, 603 KB

english, 2012

28

A theoretical model for polarized infrared spectra of crystals of 2-naphthyl acetic acid in the OH-stretching region

Issaoui, Noureddine, Ghalla, Houcine, Oujia, Brahim

Journal:

Journal of Applied Spectroscopy

Year:

2013

Language:

english

File:

PDF, 641 KB

english, 2013

29

One and Two-Electron Investigation of Electronic Structure for Ba + Xe and BaXe van der Waals Molecules in a Pseudopotential Approach

Abdessalem, Kawther, Mejrissi, Leila, Issaoui, Noureddine, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 931 KB

english, 2013

30

Ab Initio Investigation of Electronic Properties of the Magnesium Hydride Molecular Ion

Khemiri, Noura, Dardouri, Riadh, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.41 MB

english, 2013

31

Ab Initio Diabatic energies and dipole moments of the electronic states of RbLi molecule

Dardouri, Riadh, Habli, Héla, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 715 KB

english, 2013

32

Ab initio adiabatic and diabatic energies and dipole moments of the KH molecule

Khelifi, Neji, Oujia, Brahim, Gadea, Florent Xavier

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 452 KB

english, 2002

33

Spectroscopic and molecular structure investigation of 2-furanacrylic acid monomer and dimer using HF and DFT methods

Ghalla, H., Issaoui, N., Govindarajan, M., Flakus, H.T., Jamroz, M.H., Oujia, B.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.32 MB

english, 2014

34

Molecular structure and vibrational spectroscopic studies on 2-furanacetic acid monomer and dimer

Ghalla, H., Govindarajan, M., Flakus, H.T., Issaoui, N., Yaghmour, S.J., Oujia, B.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

35

Molecular structure, vibrational spectra, AIM, HOMO–LUMO, NBO, UV, first order hyperpolarizability, analysis of 3-thiophenecarboxylic acid monomer and dimer by Hartree–Fock and density functional theory

Issaoui, Noureddine, Ghalla, Houcine, Muthu, S., Flakus, H.T., Oujia, Brahim

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 1.92 MB

english, 2015

36

Ab initio spectroscopic study for the NaRb molecule in ground and excited states

Chaieb, Maha, Habli, Héla, Mejrissi, Leila, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

37

Ab initio adiabatic and diabatic energies and dipole moments of the RbH molecule

Khelifi, Neji, Zrafi, Wissem, Oujia, Brahim, Gadea, Florent Xavier

Journal:

Physical Review A

Year:

2002

Language:

english

File:

PDF, 197 KB

english, 2002

38

From one-electron to correlated wave functions in extended systems: A valence-bond investigation

Lepetit, Marie-Bernadette, Oujia, Brahim, Malrieu, Jean-Paul, Maynau, Daniel

Journal:

Physical Review A

Year:

1989

Language:

english

File:

PDF, 494 KB

english, 1989

39

Simple generation of an approximate internally correlated wave function from the Hartree-Fock approximation and its valence-bond decomposition

Oujia, Brahim, Lepetit, Marie-Bernadette, Maynau, Daniel, Malrieu, Jean-Paul

Journal:

Physical Review A

Year:

1989

Language:

english

File:

PDF, 377 KB

english, 1989

40

Valence-electron correlation in extended systems: A nonparametric exponential transformation of molecular orbitals into valence-bond wave functions

Oujia, Brahim, Malrieu, Jean-Paul

Journal:

Physical Review B

Year:

1991

Language:

english

File:

PDF, 265 KB

english, 1991

41

Theoretical investigation of the relative stability of Na+Hen (n = 2–24) clusters: Many-body versus delocalization effects

Issaoui, Noureddine, Abdessalem, Kawther, Ghalla, Houcine, Yaghmour, Saud Jamil, Calvo, Florent, Oujia, Brahim

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

42

Tunneling Spectra in (TMTSF)2 ClO4, /I/Pb Junctions

Fournel, A., Oujia, B., Sorbier, J. P.

Journal:

Molecular Crystals and Liquid Crystals

Year:

1985

Language:

english

File:

PDF, 132 KB

english, 1985

43

Many-body effects on the structures and stability of Ba2+Xen (n = 1–39, 54) clusters

Abdessalem, Kawther, Habli, Héla, Ghalla, Houcine, Yaghmour, Saud Jamil, Calvo, Florent, Oujia, Brahim

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

44

Tunneling Spectra in NbSe 3 ./I/Pb junctions

Fournel, A., Oujia, B., Sorbier, J. P.

Journal:

Molecular Crystals and Liquid Crystals

Year:

1985

Language:

english

File:

PDF, 130 KB

english, 1985

45

Ab initio calculation of the electronic structure of the strontium hydride ion (SrH + )

Habli, Héla, Mejrissi, Leila, Issaoui, Noureddine, Yaghmour, Saud Jamil, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

46

Tunnelling Measurements on YBa 2 Cu 3 O 7 Single Crystals

Fournel, A, Oujia, I, Sorbier, J. P, Noel, H, Levet, J. C, Potel, M, Gougeon, P

Journal:

EPL (Europhysics Letters)

Year:

1988

Language:

english

File:

PDF, 353 KB

english, 1988

47

Ab initio study of Ba + Ar n ( n = 1–4) clusters: spectroscopic constants and vibrational energy levels

Issa, K., Issaoui, N., Ghalla, H., Yaghmour, S. J., Mahros, Amr M., Oujia, B.

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

48

Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments

W. Zrafi, B. Oujia, F. X. Gadea

Year:

2006

Language:

english

File:

PDF, 521 KB

english, 2006

49

Theoretical study of the CsH molecule: adiabatic and diabatic potential energy curves and dipole moments

Gadea, Wissem Zrafi, Brahim Oujia and Flor

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2006

Language:

english

File:

PDF, 93 KB

english, 2006

50

Ab initio investigation of the electronic and vibrational properties for the (CaLi) + ionic molecule

Habli, Héla, Mejrissi, Leila, Ghalla, Houcine, Yaghmour, Saud Jamil, Oujia, Brahim, Gadéa, Florent Xavier

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.63 MB

english, 2016