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Abdulrahman ALLOUCHE

155
Documents

Publications

Theoretical study of the Ca + − He ionic system with spin–orbit coupling

L Yandjah , O Smida , K Alioua , Abdul-Rahman Allouche , N Lamoudi
Physica Scripta, 2024, 99 (3), pp.035410. ⟨10.1088/1402-4896/ad22ca⟩
Journal articles hal-04499854v1
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Neural Network Approach for a Rapid Prediction of Metal-Supported Borophene Properties

Pierre Mignon , Abdul-Rahman Allouche , Neil Richard Innis , Colin Bousige
Journal of the American Chemical Society, 2023, 145 (50), pp.27857-27866. ⟨10.1021/jacs.3c11549⟩
Journal articles hal-04342585v1
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Conformational preferences of the flexible galactofuranose sugar in gas-phase

Oznur Yeni , Abdul-Rahman Allouche , Laurent Legentil , Vincent Ferrières , Isabelle Compagnon
Physical Chemistry Chemical Physics, 2023, 25 (30), pp.20373-20380. ⟨10.1039/d3cp01671d⟩
Journal articles hal-04189817v1
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On-the-fly investigation of XUV excited large molecular ions using a high harmonic generation light source

Marius Hervé , Alexie Boyer , Richard Brédy , Abdul-Rahman Allouche , Isabelle Compagnon
Scientific Reports, 2022, 12 (1), pp.13191. ⟨10.1038/s41598-022-17416-4⟩
Journal articles hal-03821724v1
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O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation

Oznur Yeni , Amira Gharbi , Stéphane Chambert , Jean Rouillon , Abdul-Rahman Allouche
Physical Chemistry Chemical Physics, 2022, 24 (2), pp.1016-1022. ⟨10.1039/D1CP04837F⟩
Journal articles hal-04619326v1

O -Acetylated sugars in the gas phase: stability, migration, positional isomers and conformation

Oznur Yeni , Amira Gharbi , Stéphane Chambert , Jean Rouillon , Abdul-Rahman Allouche
Physical Chemistry Chemical Physics, 2022, ⟨10.1039/D1CP04837F⟩
Journal articles hal-03507172v1
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Infrared spectra of neutral polycyclic aromatic hydrocarbons based on machine learning potential energy surface and dipole mapping

Gaétan Laurens , Malalatiana Rabary , Julien Lam , Daniel Peláez , Abdul-Rahman Allouche
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2021, 140 (6), pp.66. ⟨10.1007/s00214-021-02773-6⟩
Journal articles hal-03248387v1

Non long‐range corrected density functionals incorrectly describe the intensity of the C-H stretching band in polycyclic aromatic hydrocarbons

Hugo Geindre , Abdul-Rahman Allouche , Daniel Peláez
Journal of Computational Chemistry, 2021, ⟨10.1002/jcc.26520⟩
Journal articles hal-03183938v1

Spectroscopic characterization and binding interaction of heavy metal onto the surface receptor of the azobenzene: DFT and experimental approach

Marwa Chaabene , Soumaya Agren , Jamal El Haskouri , Abdul-Rahman Allouche , Lahcini Mohamed
Journal of Molecular Structure, 2021, 1244, pp.130962. ⟨10.1016/j.molstruc.2021.130962⟩
Journal articles hal-03411270v1

Insights into theoretical detection of CO2, NO, CO, O2, and O3 gases molecules using Zinc phthalocyanine with peripheral mono and tetra quinoleinoxy substituents: Molecular geometries, Electronic properties, and Vibrational analysis

Marwa Chaabene , Bouzid Gassoumi , Raoudha Soury , Houcine Ghalla , Mahjoub Jabli
Chemical Physics, 2021, 547, pp.111198. ⟨10.1016/j.chemphys.2021.111198⟩
Journal articles hal-03251987v1
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Controlled ultrafast ππ*-πσ* dynamics in tryptophan-based peptides with tailored micro-environment

Marius Hervé , Alexie Boyer , Richard Brédy , Isabelle Compagnon , Abdul-Rahman Allouche
Communications Chemistry, 2021, 4 (1), ⟨10.1038/s42004-021-00557-4⟩
Journal articles hal-03342205v1

Blue Highly Fluorescent Boranil Derived From Anil Ligand: Synthesis, Characterization, Experimental and Theoretical Evaluation of Solvent Effect on Structures and Photophysical Properties

Soumaya Agren , Marwa Chaabene , Abdul-Rahman Allouche , Rafik Ben Chaâbane , Mohamed Lahcinie
Applied Organometallic Chemistry, 2020, 34 (9), pp.e5764. ⟨10.1002/aoc.5764⟩
Journal articles hal-03230000v1

Combining Quantum Mechanics and Machine-Learning Calculations for Anharmonic Corrections to Vibrational Frequencies

Julien Lam , Saleh Abdul-Al , Abdul-Rahman Allouche
Journal of Chemical Theory and Computation, 2020, 16 (3), pp.1681-1689. ⟨10.1021/acs.jctc.9b00964⟩
Journal articles hal-02531529v1
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Ab-initio study of the ground and low-lying excited states including the spin-orbit effect of RbBa molecule and laser cooling feasibility

Hela Ladjimi , Wissem Zrafi , Abdul-Rahman Allouche , Hamid Berriche
Journal of Quantitative Spectroscopy and Radiative Transfer, 2020, 252, pp.107069. ⟨10.1016/j.jqsrt.2020.107069⟩
Journal articles hal-02869458v1
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Comparison of aluminum oxide empirical potentials from cluster to nanoparticle

Gaétan Laurens , David Amans , Julien Lam , Abdul-Rahman Allouche
Physical Review B, 2020, 101 (4), pp.045427. ⟨10.1103/PhysRevB.101.045427⟩
Journal articles hal-03229989v1
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Ion spectroscopy of heterogeneous mixtures: IRMPD and DFT analysis of anomers and conformers of monosaccharides

Loïc Barnes , Abdul-Rahman Allouche , Stéphane Chambert , Baptiste Schindler , Isabelle Compagnon
International Journal of Mass Spectrometry, 2020, 447, pp.116235. ⟨10.1016/j.ijms.2019.116235⟩
Journal articles hal-02424436v1

Theoretical investigation of the pressure broadening D 1 and D 2 lines of cesium atoms colliding with ground-state helium atoms

Moussaoui Abdelaziz , Alioua Kamel , Abdul-Rahman Allouche , Bouledroua Moncef
Chinese Physics B, 2019, 28 (10), pp.103103. ⟨10.1088/1674-1056/ab4043⟩
Journal articles hal-02424433v1
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Photo-dissociation of naphthalene dimer cations stored in a compact electrostatic ion storage ring

Jérôme Bernard , Abdulaziz Al-Mogeeth , Abdul-Rahman Allouche , Lin Chen , Guillaume Montagne
The Journal of Chemical Physics, 2019, 150 (5), pp.054303. ⟨10.1063/1.5055939⟩
Journal articles hal-03011418v1

New zinc phthalocyanine derivatives for nitrogen dioxide sensors: A theoretical optoelectronic investigation

M. Chaabene , B. Gassoumi , Pierre Mignon , R. Ben Chaabane , Abdul-Rahman Allouche
Journal of Molecular Graphics and Modelling, 2019, 88, pp.174-182. ⟨10.1016/j.jmgm.2019.01.008⟩
Journal articles hal-02285865v1

On-the-Fly Femtosecond Action Spectroscopy of Charged Cyanine Dyes: Electronic Structure versus Geometry

Marius Hervé , Richard Bredy , Gabriel Karras , Bruno Concina , Jeffery Brown
Journal of Physical Chemistry Letters, 2019, 10 (9), pp.2300-2305. ⟨10.1021/acs.jpclett.9b00435⟩
Journal articles hal-02364934v1

Ab initio calculations of electronic structure of the BaCs molecule: adiabatic potential energy curves, spectroscopic constants, spin–orbit effect and permanent and transition electric dipole moments

H. Ladjimi , M. Farjallah , R. Mlika , Abdul-Rahman Allouche , H. Berriche
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2019, 138 (4), pp.56. ⟨10.1007/s00214-019-2443-0⟩
Journal articles hal-02424429v1
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Spectroscopic diagnostic for the ring-size of carbohydrates in the gas phase: furanose and pyranose forms of GalNAc

Baptiste Schindler , Laurent Legentil , Abdul-Rahman Allouche , Vincent Ferrières , Isabelle Compagnon
Physical Chemistry Chemical Physics, 2019, 21 (23), pp.12460-12467. ⟨10.1039/c8cp04082f⟩
Journal articles hal-02150450v1

Effects of thiol ligands on the growth and stability of CdS nanoclusters

Sabah Nasraoui , Ghada Attia , Naim Bel Haj Mohamed , Rafik Ben Chaâbane , Abdul-Rahman Allouche
Journal of Molecular Structure, 2019, 1198, pp.126832. ⟨10.1016/j.molstruc.2019.07.079⟩
Journal articles hal-02364595v1

Meso-tetrakis(3,4,5-trimethoxyphenyl)porphyrin derivatives: Synthesis, spectroscopic characterizations and adsorption of NO2

Raoudha Soury , Marwa Chaabéne , Mahjoub Jabli , Tawfik Saleh , Rafik Ben Chaâbane
Chemical Engineering Journal, 2019, 375, pp.122005. ⟨10.1016/j.cej.2019.122005⟩
Journal articles hal-02363497v1

Theoretical and experimental investigations of complexation with BF 3 .Et 2 O effects on electronic structures, energies and photophysical properties of Anil and tetraphenyl (hydroxyl) imidazol

Marwa Chaabene , Soumaya Agren , Abdul-Rahman Allouche , Mohamed Lahcinie , Rafik Ben Chaabane
Applied Organometallic Chemistry, 2019, 33 (11), pp.e5218. ⟨10.1002/aoc.5218⟩
Journal articles hal-02368405v1

Structural and electronic properties of wurtzite, zincblende and rocksalt Al 1 − x In x N ternary alloys at ambient and high pressure

Abdelhakim Meziani , Lemia Semra , Azzedine Telia , Hilmi Ünlü , Abdul-Rahman Allouche
Phase Transitions, 2018, 91 (12), pp.1232-1245. ⟨10.1080/01411594.2018.1527913⟩
Journal articles hal-03230527v1

Online Separation and Identification of Isomers Using Infrared Multiple Photon Dissociation Ion Spectroscopy Coupled to Liquid Chromatography: Application to the Analysis of Disaccharides Regio-Isomers and Monosaccharide Anomers

Baptiste Schindler , Gabrielle Laloy-Borgna , Loic Barnes , Abdul-Rahman Allouche , Elodie Bouju
Analytical Chemistry, 2018, 90 (20), pp.11741-11745. ⟨10.1021/acs.analchem.8b02801⟩
Journal articles hal-01936856v1

Theoretical and experimental investigation on ligands-CdS clusters interactions: Influence of solvent

S. Nasraoui , Brahim N. Ben , N. B. H. Mohamed , Chaabane R. Ben , Abdul-Rahman Allouche
Journal of Molecular Structure, 2018, 1173, pp.894-902. ⟨10.1016/j.molstruc.2018.07.057⟩
Journal articles hal-02290280v1
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Anomeric memory of the glycosidic bond upon fragmentation and its consequences for carbohydrate sequencing

Baptiste Schindler , Loïc Barnes , Gina Renois , Christopher Gray , Stéphane Chambert
Nature Communications, 2017, 8 (1), pp.973. ⟨10.1038/s41467-017-01179-y⟩
Journal articles hal-01673946v1

Conformational preferences of protonated N -acetylated hexosamines probed by InfraRed Multiple Photon Dissociation (IRMPD) spectroscopy and ab initio calculations

Loïc Barnes , Baptiste Schindler , Stéphane Chambert , Abdul-Rahman Allouche , Isabelle Compagnon
International Journal of Mass Spectrometry, 2017, 421, pp.116 - 123. ⟨10.1016/j.ijms.2017.05.005⟩
Journal articles hal-01673951v1

MS/IR, a new MS-based hyphenated method for analysis of hexuronic acid epimers in glycosaminoglycans

Baptiste Schindler , Gina Renois-Predelus , Nassiba Bagdadi , Sihem Melizi , Loïc Barnes
Glycoconjugate Journal, 2017, 34 (3), pp.421 - 425. ⟨10.1007/s10719-016-9741-8⟩
Journal articles hal-01673956v1
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Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation

Marin Vojkovic , Driss Rayane , Rodolphe Antoine , Michel Broyer , Abdul-Rahman Allouche
Journal of Physical Chemistry A, 2017, 121 (23), pp.4404 - 4411. ⟨10.1021/acs.jpca.7b01564⟩
Journal articles hal-01673953v1

IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates

Baptiste Schindler , Loïc Barnes , C. Gray , S. Chambert , L. Flitsch
Journal of Physical Chemistry A, 2017, 121 (10), pp.2114-2120. ⟨10.1021/acs.jpca.6b11642⟩
Journal articles hal-01966732v1

Bottom-Up Elucidation of Glycosidic Bond Stereochemistry

Christopher Gray , Baptiste Schindler , Lukasz G. Migas , Martina Pičmanová , Abdul-Rahman Allouche
Analytical Chemistry, 2017, 89 (8), pp.4540 - 4549. ⟨10.1021/acs.analchem.6b04998⟩
Journal articles hal-01673962v1

Fragmentation dynamics of meso-tetraphenyl iron (III) porphyrin chloride dication under energy control

B. Li , Abdul-Rahman Allouche , J. Bernard , R. Brédy , D. B. Qian
The Journal of Chemical Physics, 2017, 146 (12), ⟨10.1063/1.4978626⟩
Journal articles hal-01673964v1

Theoretical study of HNCO formation from atomic nitrogen and carbon monoxide in the presence of water

Pierre Mignon , Abdul-Rahman Allouche , Marie-Christine Bacchus-Montabonel
Chemical Physics, 2017, 488-489, pp.28 - 35. ⟨10.1016/j.chemphys.2017.03.008⟩
Journal articles hal-01673957v1

Fast and accurate hybrid QM//MM approach for computing anharmonic corrections to vibrational frequencies

Loïc Barnes , Baptiste Schindler , Isabelle Compagnon , Abdul-Rahman Allouche
Journal of Molecular Modeling, 2016, 22 (11), ⟨10.1007/s00894-016-3135-5⟩
Journal articles hal-01673969v1

Photodissociation of Trapped Rb 2 + : Implications for Simultaneous Trapping of Atoms and Molecular Ions

S. Jyothi , Tridib Ray , Sourav Dutta , Abdul-Rahman Allouche , Romain Vexiau
Physical Review Letters, 2016, 117 (21), ⟨10.1103/PhysRevLett.117.213002⟩
Journal articles hal-01673968v1
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Fast radiative cooling of anthracene: Dependence on internal energy

S. Martin , M. Ji , J. Bernard , R. Brédy , B. Concina
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2015, 92 (5), ⟨10.1103/PhysRevA.92.053425⟩
Journal articles hal-01673975v1
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The cooling of naphthalene cations studied within an electrostatic storage ring

C. Ortega , R. Brédy , C. Chen , J. Bernard , M Ji
Journal of Physics: Conference Series, 2015, 583, ⟨10.1088/1742-6596/583/1/012038⟩
Journal articles hal-01673981v1

High-lying electronic states of the rubidium dimer— Ab initio predictions and experimental observation of the 51Σu+ and 5 1 Π u states of Rb 2 by polarization labelling spectroscopy

Wlodzimierz Jastrzebski , Pawel Kowalczyk , Jacek Szczepkowski , Abdul-Rahman Allouche , Patrick Crozet
The Journal of Chemical Physics, 2015, 143 (4), ⟨10.1063/1.4927225⟩
Journal articles hal-01673977v1
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PAH radiative cooling and fragmentation kinematics studied within an electrostatic ring

R. Brédy , C. Ortega , J. Ji , C. Chen , J. Bernard
Journal of Physics: Conference Series, 2015, 583, ⟨10.1088/1742-6596/583/1/012042⟩
Journal articles hal-01673979v1
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Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles

Julien Lam , David Amans , Christophe Dujardin , Gilles Ledoux , Abdul-Rahman Allouche
Journal of Physical Chemistry A, 2015, 119 (33), pp.8944 - 8949. ⟨10.1021/acs.jpca.5b05829⟩
Journal articles hal-01673976v1

Theoretical investigation on electronic, optical, and charge transport properties of new anthracene derivatives

A. Touhami , R. Ben Chaabane , Abdul-Rahman Allouche
Computational and Theoretical Chemistry, 2015, 1073, pp.123 - 130. ⟨10.1016/j.comptc.2015.09.024⟩
Journal articles hal-01673973v1
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Anharmonic simulations of the vibrational spectrum of sulfated compounds : application to the glycosaminoglycan fragment glucosamine 6-sulfate.

Loïc Barnes , Baptiste Schindler , Abdul-Rahman Allouche , Daniel Simon , Stéphane Chambert
Physical Chemistry Chemical Physics, 2015, 17 (39), pp.25705-25713. ⟨10.1039/C5CP02079D⟩
Journal articles hal-01478808v1

Observation of the 4(1)Sigma(+)(g) State of Rb-2

X. Han , J. Yang , Y. Guan , Z. Zhou , W. Zhao
Chemical Physics Letters, 2014, 601, pp.124-127. ⟨10.1016/j.cplett.2014.04.003⟩
Journal articles hal-02310843v1

Distinguishing isobaric phosphated and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy.

Baptiste Schindler , Janhavi Joshi , Abdul-Rahman Allouche , Daniel Simon , Stéphane Chambert
Physical Chemistry Chemical Physics, 2014, 16 (40), pp.22131-22138. ⟨10.1039/C4CP02898H⟩
Journal articles hal-01407397v1

TDDFT Assessment of Functionals for Optical 0–0 Transitions in Small Radicals

Loïc Barnes , Saleh Abdul-Al , Abdul-Rahman Allouche
Journal of Physical Chemistry A, 2014, 118 (46), pp.11033 - 11046. ⟨10.1021/jp5078032⟩
Journal articles hal-01673983v1
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Upper bound to the ionization energy of 85 Rb 2

M. Bellos , R. Carollo , J. Banerjee , M. Ascoli , Abdul-Rahman Allouche
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2013, 87 (1), ⟨10.1103/PhysRevA.87.012508⟩
Journal articles hal-01673990v1

Vacuum ultraviolet action spectroscopy of polysaccharides.

Quentin Enjalbert , Claire Brunet , Arnaud Vernier , Abdul-Rahman Allouche , Rodolphe Antoine
Journal of The American Society for Mass Spectrometry, 2013, 24 (8), pp.1271-1279. ⟨10.1007/s13361-013-0657-2⟩
Journal articles hal-00864641v1
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Theoretical investigation of the lithium 2 p ← 2 s photoabsorption spectra perturbed by atomic hydrogen

N. Lamoudi , M. Bouledroua , K. Alioua , Abdul-Rahman Allouche , Monique Aubert-Frécon
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2013, 87 (5), ⟨10.1103/PhysRevA.87.052713⟩
Journal articles hal-01673988v1

Transition dipole moments between the low-lying Ω g,u (+/−) states of the Rb 2 and Cs 2 molecules

Abdul-Rahman Allouche , Monique Aubert-Frécon
The Journal of Chemical Physics, 2012, 136 (11), ⟨10.1063/1.3694014⟩
Journal articles hal-01673993v1

Combined electrospray ionization source with a velocity map imaging spectrometer for studying large gas phase molecular ions

E. Papalazarou , C. Cauchy , T. Barillot , B. Bellina , J. Maurelli
Analyst, 2012, 137 (15), ⟨10.1039/C2AN16136B⟩
Journal articles hal-01673995v1

Gas phase photo-formation and vacuum UV photofragmentation spectroscopy of tryptophan and tyrosine radical-containing peptides.

Claire Brunet , Rodolphe Antoine , Abdul-Rahman Allouche , Philippe Dugourd , Francis Canon
Journal of Physical Chemistry A, 2011, 115 (32), pp.8933-9. ⟨10.1021/jp205617x⟩
Journal articles hal-01228312v1

Fragmentation of singly charged adenine induced by neutral fluorine beam impact at 3 keV

Lin Chen , R. Brédy , J. Bernard , G. Montagne , Abdul-Rahman Allouche
The Journal of Chemical Physics, 2011, 135 (11), ⟨10.1063/1.3621713⟩
Journal articles hal-01674001v1

Spectroscopic Signatures of Peptides Containing Tryptophan Radical Cations

Bruno Bellina , Isabelle Compagnon , Sarah Houver , Philippe Maître , Abdul-Rahman Allouche
Angewandte Chemie, 2011, 123 (48), pp.11632 - 11634. ⟨10.1002/anie.201104783⟩
Journal articles hal-01673996v1

Gabedit-A graphical user interface for computational chemistry softwares

Abdul-Rahman Allouche
Journal of Computational Chemistry, 2011, 32 (1), pp.174 - 182. ⟨10.1002/jcc.21600⟩
Journal articles hal-01674005v1

Ab initio and long-range investigation of the Ω (+/−) states of NaK dissociating adiabatically up to Na(3 s 2 S 1/2 ) + K(3 d 2 D 3/2 )

Abdul-Rahman Allouche , M. Aubert-Frécon
The Journal of Chemical Physics, 2011, 135 (2), ⟨10.1063/1.3607964⟩
Journal articles hal-01674002v1

Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: an approach based on quantum mechanics

A Lazariev , Abdul-Rahman Allouche , M. Aubert-Frécon , F. Fauvelle , M. Piotto
Measurement Science and Technology, 2011, 22 (11), ⟨10.1088/0957-0233/22/11/114020⟩
Journal articles hal-01674000v1

Density functional theory (DFT) calculations of the proton nuclear magnetic resonance (NMR) spin-Hamiltonian parameters for serine

Z Atieh , Abdul-Rahman Allouche , D. Graveron-Demilly , M. Aubert-Frécon
Measurement Science and Technology, 2011, 22 (11), ⟨10.1088/0957-0233/22/11/114015⟩
Journal articles hal-01673998v1

Rapid, Accurate and Simple Model to Predict NMR Chemical Shifts for Biological Molecules

Zeinab Atieh , Monique Aubert-Frécon , Abdul-Rahman Allouche
Journal of Physical Chemistry B, 2010, 114 (49), pp.16388 - 16392. ⟨10.1021/jp1086009⟩
Journal articles hal-01674013v1

UV spectroscopy of entire proteins in the gas phase

B. Bellina , I. Compagnon , L. Joly , F. Albrieux , Abdul-Rahman Allouche
International Journal of Mass Spectrometry, 2010, 297 (1-3), pp.36 - 40. ⟨10.1016/j.ijms.2010.05.015⟩
Journal articles hal-01674014v1

DFT calculations of 1H chemical shifts, simulated and experimental NMR spectra for sarcosine

Z. Atieh , Abdul-Rahman Allouche , A. Lazariev , D. van Ormondt , D. Graveron-Demilly
Chemical Physics Letters, 2010, 492 (4-6), pp.297 - 301. ⟨10.1016/j.cplett.2010.04.054⟩
Journal articles hal-01674015v1

UV electronic excitations in acidic sugars

A. Racaud , Abdul-Rahman Allouche , R. Antoine , J. Lemoine , P. Dugourd
Journal of Molecular Structure: THEOCHEM, 2010, 960 (1-3), pp.51 - 56. ⟨10.1016/j.theochem.2010.08.024⟩
Journal articles hal-01674011v1

Photodetachment of tryptophan anion: an optical probe of remote electron

Isabelle Compagnon , Abdul-Rahman Allouche , Franck Bertorelle , Rodolphe Antoine , Philippe Dugourd
Physical Chemistry Chemical Physics, 2010, 12 (14), ⟨10.1039/B922514P⟩
Journal articles hal-01674016v1

Theoretical investigation of the Omega(g,u)(+/-) states of K2 dissociating adiabatically up to K(4p 2P(3/2)) + K(4p 2P(3/2)).

Alya Jraij , Abdul-Rahman Allouche , Sylvie Magnier , Monique Aubert-Frécon
The Journal of Chemical Physics, 2009, 130 (24), pp.244307. ⟨10.1063/1.3158361⟩
Journal articles hal-00667163v1

Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p)

Abdul-Rahman Allouche , K. Alioua , M. Bouledroua , M. Aubert-Frécon
Chemical Physics, 2009, 355 (1), pp.85 - 89. ⟨10.1016/j.chemphys.2008.11.006⟩
Journal articles hal-01674022v1

Theoretical electronic structure of the molecule ScI

M. Korek , S. Kontar , F. Taher-Mansour , Abdul-Rahman Allouche
International Journal of Quantum Chemistry, 2009, 109 (2), pp.236 - 242. ⟨10.1002/qua.21779⟩
Journal articles hal-01674025v1

DFT calculations of NMR spin-hamiltonian parameters for two polyamines of prostate tissue: Spermidine and spermine

Z. Atieh , A. R. Allouche , D. Graveron-Demilly , F. Fauvelle , M. Aubert-Frécon
Measurement Science and Technology, 2009, 20, (in-press)
Journal articles hal-00443119v1

Electron photodetachment of trapped doubly deprotonated angiotensin peptides. UV spectroscopy and radical recombination

R. Antoine , L. Joly , Abdul-Rahman Allouche , M. Broyer , J. Lemoine
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2009, 51 (1), pp.117 - 124. ⟨10.1140/epjd/e2008-00076-4⟩
Journal articles hal-01674028v1

Self-broadening and shifting of the Li(2s–2p) and K(4s–4p) line cores

L. Reggami , M. Bouledroua , Abdul-Rahman Allouche , M. Aubert-Frécon
Journal of Quantitative Spectroscopy and Radiative Transfer, 2009, 110 (1-2), pp.72 - 81. ⟨10.1016/j.jqsrt.2008.09.011⟩
Journal articles hal-01674021v1

Density functional theory calculations of the nuclear magnetic resonance spin-Hamiltonian parameters for two polyamines of prostate tissue: spermidine and spermine

Z Atieh , Abdul-Rahman Allouche , D. Graveron-Demilly , F. Fauvelle , M. Aubert-Frécon
Measurement Science and Technology, 2009, 20 (10), ⟨10.1088/0957-0233/20/10/104024⟩
Journal articles hal-01674018v1
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Optical properties of isolated hormone oxytocin dianions. Ionization, reduction and copper complexation effects

Laure Joly , Rodolphe Antoine , Abdul-Rahman Allouche , Michel Broyer , Jérôme Lemoine
Journal of Physical Chemistry A, 2009, 113 (24), pp.6607-6611. ⟨10.1021/jp810342s⟩
Journal articles hal-02982077v1

Coincidence method for measuring the mass of neutral fragments emitted in a delayed fragmentation process from a singly charged molecule: Fragmentation pathway of adenine

S. Martin , R. Brédy , Abdul-Rahman Allouche , J. Bernard , A. Salmoun
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2008, 77 (6), ⟨10.1103/PhysRevA.77.062513⟩
Journal articles hal-01674041v1

Far-wing profile of photoabsorption spectra of Na(3s–3p) atoms perturbed by helium

K Alioua , M Bouledroua , Abdul-Rahman Allouche , M. Aubert-Frécon
Journal of Physics B: Atomic, Molecular and Optical Physics, 2008, 41 (17), ⟨10.1088/0953-4075/41/17/175102⟩
Journal articles hal-01674038v1

Photoelectron Spectroscopy of Gramicidin Polyanions: Competition between Delayed and Direct Emission

Katerina Matheis , Laure Joly , Rodolphe Antoine , Franck Lépine , C. Bordas
Journal of the American Chemical Society, 2008, 130 (47), pp.15903-15906. ⟨10.1021/ja803758w⟩
Journal articles hal-00391920v1

Theoretical and experimental investigation of the 1H NMR spectrum of putrescine

A. R. Allouche , D. Graveron-Demilly , F. Fauvelle , M. Aubert-Frécon
Chemical Physics Letters, 2008, 466 (4-6), pp.219--222
Journal articles hal-00443106v1

Theoretical electronic structure of the lowest-lying states of ScCl molecule below 22500cm−1

F. Taher-Mansour , Abdul-Rahman Allouche , M. Korek
Journal of Molecular Spectroscopy, 2008, 248 (1), pp.61 - 65. ⟨10.1016/j.jms.2007.11.012⟩
Journal articles hal-01674043v1

Theoretical spin-orbit structure of the alkali dimer cation K2+

Alya Jraij , Abdul-Rahman Allouche , Sylvie Magnier , Monique Aubert-Frécon
Canadian Journal of Physics, 2008, 86 (12), pp.1409-1415. ⟨10.1139/P08-091⟩
Journal articles hal-00675168v1

Theoretical study with spin-orbit effects and electronic transition moment calculation of the ion NaCs +

K Korek , K Badreddine , Abdul-Rahman Allouche
Canadian Journal of Physics, 2008, 86 (8), pp.1015 - 1022. ⟨10.1139/p08-023⟩
Journal articles hal-01674039v1

Theoretical calculation of the low lying electronic states of the molecular ion RbH+ with spin-orbit effects

M. Korek , S. Hammoud , Abdul-Rahman Allouche , T. Harb
The Journal of Chemical Physics, 2008, 129 (20), ⟨10.1063/1.2992074⟩
Journal articles hal-01674032v1

Theoretical structure of the low-laying electronic states of the molecule YBr

S. Abdul-Al , M. Korek , Abdul-Rahman Allouche , M. Aubert Frécon
International Journal of Quantum Chemistry, 2007, 107 (4), pp.998 - 1007. ⟨10.1002/qua.21199⟩
Journal articles hal-01674048v1

Theoretical calculation of the low laying electronic states of the molecule NaCs with spin-orbit effect

M. Korek , S. Bleik , Abdul-Rahman Allouche
The Journal of Chemical Physics, 2007, 126 (12), ⟨10.1063/1.2710257⟩
Journal articles hal-01674047v1

Quantum chemistry-based NMR spin Hamiltonian parameters of GABA for quantitation in magnetic resonance spectroscopy

Abdul-Rahman Allouche , M. Aubert-Frécon , D. Graveron-Demilly
Physical Chemistry Chemical Physics, 2007, 9 (24), pp.3098 - 3103. ⟨10.1039/B700631D⟩
Journal articles hal-01674050v1

Ultraviolet Spectroscopy of Peptide and Protein Polyanions in Vacuo: Signature of the Ionization State of Tyrosine

Laure Joly , Rodolphe Antoine , Abdul-Rahman Allouche , Michel Broyer , Jérôme Lemoine
Journal of the American Chemical Society, 2007, 129 (27), pp.8428 - 8429. ⟨10.1021/ja072818r⟩
Journal articles hal-01674046v1
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Ab initio Study of Neutral and Charged Si n Na p (+) ( n ≤ 6, p ≤ 2) Clusters

C. Sporea , Franck Rabilloud , Abdul-Rahman Allouche , M. Frécon
Journal of Physical Chemistry A, 2006, 110 (3), pp.1046 - 1051. ⟨10.1021/jp055014b⟩
Journal articles hal-01674058v1

Structure of low-lying electronic states of NdO: Quantum chemical calculations

Abdul-Rahman Allouche , M. Aubert-Frécon , S. Ya. Umanskiy
The Journal of Chemical Physics, 2006, 124 (18), ⟨10.1063/1.2189232⟩
Journal articles hal-01674052v1
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Electric dipole, polarizability and structure of cesium chloride clusters with one-excess electron

A. Jraij , Abdul-Rahman Allouche , Franck Rabilloud , M. Korek , M. Aubert-Frécon
Chemical Physics, 2006, 322 (3), pp.298 - 302. ⟨10.1016/j.chemphys.2005.09.033⟩
Journal articles hal-01674054v1

Theoretical study with rovibrational and electronic transitionmoment calculation of the ion LiCs +

M Korek , a M Moghrabi , Abdul-Rahman Allouche , M Aubert Frécon
Canadian Journal of Physics, 2006, 84 (11), pp.959 - 971. ⟨10.1139/p06-073⟩
Journal articles hal-01674051v1
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Theoretical Study of Mixed Silicon−Lithium Clusters Si n Li p (+) ( n = 1−6, p = 1−2)

C. Sporea , Franck Rabilloud , X. Cosson , Abdul-Rahman Allouche , M. Aubert-Frécon
Journal of Physical Chemistry A, 2006, 110 (18), pp.6032 - 6038. ⟨10.1021/jp0567927⟩
Journal articles hal-01674053v1

Theoretical calculation of the excited states of the KCs molecule including the spin-orbit interaction

M. Korek , Y. A. Moghrabi , Abdul-Rahman Allouche
The Journal of Chemical Physics, 2006, 124 (9), ⟨10.1063/1.2173239⟩
Journal articles hal-01674055v1

Theoretical structure of the low lying electronic states of yttrium fluoride YF

S. Abdul-Al , M. Korek , Abdul-Rahman Allouche , M. Aubert Frécon
Chemical Physics, 2005, 315 (1-2), pp.183 - 192. ⟨10.1016/j.chemphys.2005.03.024⟩
Journal articles hal-01674059v1

Existence of weakly bound states for metal-benzene molecules confirmed from a long-range model

M. Aubert-Frecon , Franck Rabilloud , Abdul-Rahman Allouche , D. Rayane , R. Antoine
Chemical Physics Letters, 2005, 405 (4-6), pp.422-424. ⟨10.1016/j.cplett.2005.02.071⟩
Journal articles hal-00143854v1

Electronic properties of mixed lithium-oxygen clusters

J. Viallon , M. Lebeault , F. Lepine , J. Chevaleyre , Christian Jonin
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2005, 33 (3), pp.405 - 411. ⟨10.1140/epjd/e2005-00075-y⟩
Journal articles hal-01674060v1

Theoretical electronic structure including spin–orbit effects of the alkali dimer cation

A. Jraij , Abdul-Rahman Allouche , M. Korek , M. Aubert-Frécon
Chemical Physics, 2005, 310 (1-3), pp.145 - 151. ⟨10.1016/j.chemphys.2004.10.023⟩
Journal articles hal-01674063v1

Theoretical electronic structure of the lowest-lying states of the YI molecule

S. Abdul-Al , Abdul-Rahman Allouche , M. Korek , M. Aubert-Frécon
Chemical Physics, 2005, 308 (1-2), pp.1 - 6. ⟨10.1016/j.chemphys.2004.07.032⟩
Journal articles hal-01674064v1

Theoretical electronic structure of the lowest-lying states of the LaCl molecule

H. Fahs , M. Korek , Abdul-Rahman Allouche , M. Aubert-Frécon
Chemical Physics, 2004, 299 (1), pp.97 - 103. ⟨10.1016/j.chemphys.2003.12.009⟩
Journal articles hal-01674070v1

Theoretical determination of highly excited states of K2 correlated adiabatically above K(4p)+K(4p)

S. Magnier , M. Aubert-Frécon , Abdul-Rahman Allouche
The Journal of Chemical Physics, 2004, 121 (4), pp.1771 - 1781. ⟨10.1063/1.1764498⟩
Journal articles hal-01674068v1

Theoretical electronic structure of the alkali-dimer cation Rb2+

A. Jraij , Abdul-Rahman Allouche , M. Korek , M. Aubert-Frécon
Chemical Physics, 2003, 290 (2-3), pp.129 - 136. ⟨10.1016/S0301-0104(03)00060-0⟩
Journal articles hal-01674078v1

Theoretical study of the low-lying electronic states of the molecular ion KRb+

M. Korek , G. Younes , Abdul-Rahman Allouche
International Journal of Quantum Chemistry, 2003, 92 (4), pp.376 - 380. ⟨10.1002/qua.10485⟩
Journal articles hal-01674083v1

Static anisotropic and isotropic electric dipole polarizabilities of Na n F n-1 clusters

Geoffroy Durand , F. Spiegelman , Abdul-Rahman Allouche
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2003, 24 (1-3), pp.19 - 22. ⟨10.1140/epjd/e2003-00163-0⟩
Journal articles hal-01674077v1

Electric dipole of metal-benzene sandwiches

D. Rayane , Abdul-Rahman Allouche , Rodolphe Antoine , M. Broyer , I. Compagnon
Chemical Physics Letters, 2003, 375 (5-6), pp.506-510. ⟨10.1016/S0009-2614(03)00870-4⟩
Journal articles hal-00152691v1

Susceptibility and electric dipole in metal C60 compounds

D. Rayane , A. R. Allouche , R. Antoine , I. Compagnon , M. Broyer
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2003, 24, (1-3), pp.9-13. ⟨10.1140/epjd/e2003-00134-5⟩
Journal articles hal-00152687v1

Permanent dipole of metal-benzene molecules : Evidence for long-range weakly bound states ?

F. Rabilloud , D. Rayane , A. R. Allouche , R. Antoine , M. Aubert-Frécon
Journal of Physical Chemistry A, 2003, 107 (51), pp.11347-11353. ⟨10.1021/jp035403a⟩
Journal articles hal-00152663v1

Structural electric dipole in small ionic nanocrystals

D. Rayane , A. R. Allouche , I. Compagnon , R. Antoine , M. Aubert-Frécon
Chemical Physics Letters, 2003, 367 (3-4), pp.278-283. ⟨10.1016/S0009-2614(02)01696-2⟩
Journal articles hal-00152695v1

Theoretical electronic structure of the lowest-lying states of the LaI molecule

F. Taher-Mansour , Abdul-Rahman Allouche , M. Aubert-Frécon
Journal of Molecular Spectroscopy, 2003, 221 (1), pp.1 - 6. ⟨10.1016/S0022-2852(03)00151-6⟩
Journal articles hal-01674072v1

Theoretical electronic structure of the lowest-lying states of the LaF molecule

H. Fahs , Abdul-Rahman Allouche , M. Korek , M. Aubert-Frécon
The Journal of Chemical Physics, 2002, 117 (8), pp.3715 - 3720. ⟨10.1063/1.1493769⟩
Journal articles hal-01674088v1

Electric dipole moments and polarizabilities of single excess electron sodium fluoride clusters: Experiment and theory

D. Rayane , I. Compagnon , R. Antoine , M. Broyer , P. Dugourd
The Journal of Chemical Physics, 2002, 116 (24), pp.10730-10738. ⟨10.1063/1.1480595⟩
Journal articles hal-00152747v1

Computed Electron Affinity of Carbon Clusters C n up to n = 20 and Fragmentation Energy of Anions

F. Lepine , Abdul-Rahman Allouche , B. Baguenard , Ch. Bordas , M. Aubert-Frécon
Journal of Physical Chemistry A, 2002, 106 (31), pp.7177 - 7183. ⟨10.1021/jp014701+⟩
Journal articles hal-01674090v1

The theoretical spin-orbit structure of the RbCs molecule

H Fahs , Abdul-Rahman Allouche , M Korek , M. Aubert-Frécon
Journal of Physics B: Atomic, Molecular and Optical Physics, 2002, 35 (6), pp.1501 - 1508. ⟨10.1088/0953-4075/35/6/307⟩
Journal articles hal-01674093v1

Emission of singly and doubly charged light fragments from C 60 r + ( r = 4 – 9 ) in Xe 2 5 + − C 60 collisions

S. Martin , Lin Chen , R. Brédy , J. Bernard , M. C. Buchet-Poulizac
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2002, 66 (6), ⟨10.1103/PhysRevA.66.063201⟩
Journal articles hal-01674084v1

Potential curves and rovibrational energies for electronic states of the molecular ion KCs +

M Korek , Abdul-Rahman Allouche , S N Abdul Al
Canadian Journal of Physics, 2002, 80 (9), pp.1025 - 1035. ⟨10.1139/p02-045⟩
Journal articles hal-01674087v1

Theoretical study of the low-lying electronic states of the RbCs + molecular ion

M Korek , Abdul-Rahman Allouche
Journal of Physics B: Atomic, Molecular and Optical Physics, 2001, 34 (18), pp.3689 - 3702. ⟨10.1088/0953-4075/34/18/307⟩
Journal articles hal-01674097v1

Pure long-range ion-pair Cs2 molecules

T Ban , S Skenderović , R Beuc , I Krajcar Bronić , S Rousseau
Chemical Physics Letters, 2001, 345 (5-6), pp.423 - 428. ⟨10.1016/S0009-2614(01)00918-6⟩
Journal articles hal-01674094v1

Polarizability of KC 60 : Evidence for Potassium Skating on the C 60 Surface

D. Rayane , R. Antoine , Ph. Dugourd , E. Benichou , Abdul-Rahman Allouche
Physical Review Letters, 2000, 84 (9), pp.1962 - 1965. ⟨10.1103/PhysRevLett.84.1962⟩
Journal articles hal-01674110v1
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Non perturbative approach for a polar and polarizable linear molecule in an inhomogeneous electric field: Application to molecular beam deviation experiments

Emmanuel Benichou , Abdul-Rahman Allouche , Rodolphe Antoine , Monique Aubert-Frecon , Mickaël Bourgoin
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2000, 10 (2), pp.233-242. ⟨10.1007/s100530050544⟩
Journal articles hal-00492376v1

Theoretical Study of the Electronic Structure of the KRb Molecule

S. Rousseau , Abdul-Rahman Allouche , M. Aubert-Frécon
Journal of Molecular Spectroscopy, 2000, 203 (2), pp.235 - 243. ⟨10.1006/jmsp.2000.8142⟩
Journal articles hal-01674100v1

Theoretical study of the electronic structure of LiCs, NaCs, and KCs molecules

K Korek , Abdul-Rahman Allouche , K Fakhreddine , A Chaalan
Canadian Journal of Physics, 2000, 78 (11), pp.977 - 988. ⟨10.1139/p00-074⟩
Journal articles hal-01674098v1

Theoretical electronic structure of RbCs revisited

Abdul-Rahman Allouche , M Korek , F Fakherddin , A Chaalan , M Dagher
Journal of Physics B: Atomic, Molecular and Optical Physics, 2000, 33 (12), pp.2307 - 2316. ⟨10.1088/0953-4075/33/12/312⟩
Journal articles hal-01674102v1

Electronic properties of mixed barium–oxygen clusters

V. Boutou , M. A. Lebeault , Abdul-Rahman Allouche , F. Paulig , J. Viallon
The Journal of Chemical Physics, 2000, 112 (14), pp.6228 - 6236. ⟨10.1063/1.481221⟩
Journal articles hal-01674107v1

Theoretical study of the electronic structure of the LiRb and NaRb molecules

M. Korek , Abdul-Rahman Allouche , M. Kobeissi , A. Chaalan , M. Dagher
Chemical Physics, 2000, 256 (1), pp.1 - 6. ⟨10.1016/S0301-0104(00)00061-6⟩
Journal articles hal-01674103v1

Potential energy curves of 58 states of Li2+

M Magnier , S Rousseau , Abdul-Rahman Allouche , G. Hadinger , M. Aubert-Frécon
Chemical Physics, 1999, 246 (1-3), pp.57 - 64. ⟨10.1016/S0301-0104(99)00084-1⟩
Journal articles hal-01674115v1

Static electric dipole polarizabilities of alkali clusters

D. Rayane , Abdul-Rahman Allouche , E. Benichou , R. Antoine , M. Aubert-Frécon
The European Physical Journal D : Atomic, molecular, optical and plasma physics, inPress, 9 (1), pp.243 - 248. ⟨10.1007/s100530050433⟩
Journal articles hal-01674111v1

Theoretical study of the electronic structure of KLi and comparison with experiments

S. Rousseau , Abdul-Rahman Allouche , M. Aubert-Frécon , S. Magnier , P. Kowalczyk
Chemical Physics, 1999, 247 (2), pp.193 - 199. ⟨10.1016/S0301-0104(99)00206-2⟩
Journal articles hal-01674114v1

Static dipole polarizability of small mixed sodium–lithium clusters

R. Antoine , D. Rayane , Abdul-Rahman Allouche , M. Aubert-Frécon , E. Benichou
The Journal of Chemical Physics, 1999, 110 (12), pp.5568 - 5577. ⟨10.1063/1.478455⟩
Journal articles hal-01674116v1

Predictions of geometrical structures and ionization potentials for small barium clusters Ba $_{\mathsf{ n}}$

V. Boutou , Abdul-Rahman Allouche , F. Spiegelmann , J. Chevaleyre , M. Aubert Frécon
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 1998, 2 (1), pp.63 - 73. ⟨10.1007/s100530050112⟩
Journal articles hal-01674118v1

Experimental and theoretical investigations of ionization potentials and structures of mixed sodium lithium clusters

E. Benichou , Abdul-Rahman Allouche , M. Aubert-Frécon , R. Antoine , M. Broyer
Chemical Physics Letters, 1998, 290 (1-3), pp.171 - 179. ⟨10.1016/S0009-2614(98)00513-2⟩
Journal articles hal-01674117v1

Structural Transition in Barium Suboxide Clusters

V. Boutou , M. A. Lebeault , Abdul-Rahman Allouche , C. Bordas , F. Paulig
Physical Review Letters, 1998, 80 (13), pp.2817 - 2820. ⟨10.1103/PhysRevLett.80.2817⟩
Journal articles hal-01674119v1

Ionization potentials and geometrical structure of pure and oxygenated barium clusters

V. Boutou , M. A. Lebeault-Dorget , Abdul-Rahman Allouche , C. Bordas , J. Chevaleyre
Zeitschrift für Physik. D, Atoms, molecules and clusters, 1997, 40 (1-4), pp.448 - 453. ⟨10.1007/s004600050249⟩
Journal articles hal-01674120v1

Theoretical study of the electronic structure of the low-lying states of the Li 2 H molecule

Abdul-Rahman Allouche , M. Aubert-Frécon , F. Spiegelmann
Canadian Journal of Physics, 1996, 74 (5-6), pp.194 - 201. ⟨10.1139/p96-031⟩
Journal articles hal-01674124v1

Theoretical study of the electronic structure of the Sr 2 molecule

N. Boutassetta , Abdul-Rahman Allouche , M. Aubert-Frécon
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 1996, 53 (6), pp.3845 - 3852. ⟨10.1103/PhysRevA.53.3845⟩
Journal articles hal-01674122v1

Theoretical study of some low-lying states of scandium monochloride

N Boutassetta , Abdul-Rahman Allouche , M. Aubert-Frécon
Journal of Physics B: Atomic, Molecular and Optical Physics, 1996, 29 (9), pp.1637 - 1639. ⟨10.1088/0953-4075/29/9/010⟩
Journal articles hal-01674123v1

On the optical absorption spectrum of Li2H

R. Antoine , Ph. Dugourd , D. Rayane , Abdul-Rahman Allouche , M. Aubert-Frécon
Chemical Physics Letters, 1996, 261 (6), pp.670 - 676. ⟨10.1016/0009-2614(96)01027-5⟩
Journal articles hal-01674121v1

Theoretical study of the electronic structure of the Ba2 molecule

Abdul-Rahman Allouche , M. Aubert-Frécon , G. Nicolas , F. Spiegelmann
Chemical Physics, 1995, 200 (1-2), pp.63 - 77. ⟨10.1016/0301-0104(95)00204-2⟩
Journal articles hal-01674126v1

Theoretical study of the low-lying electronic states of the BaK molecule

N. Boutassetta , Abdul-Rahman Allouche , M. Aubert-Frécon
Chemical Physics, 1995, 201 (2-3), pp.393 - 403. ⟨10.1016/0301-0104(95)00301-0⟩
Journal articles hal-01674125v1

A Ligand Field Approach for the Low-Lying States of Ca, Sr, and Ba Monohydroxides

Abdul-Rahman Allouche , M. Aubertfrecon
Journal of Molecular Spectroscopy, 1994, 163 (2), pp.599 - 603. ⟨10.1006/jmsp.1994.1049⟩
Journal articles hal-01674129v1

Theoretical study of the low-lying electronic states of the BaNa molecule

N. Boutassetta , Abdul-Rahman Allouche , M. Aubert-Frécon
Chemical Physics, 1994, 189 (1), pp.33 - 39. ⟨10.1016/0301-0104(94)80005-7⟩
Journal articles hal-01674127v1

Ab initio treatment of electron capture by B 4 + ions from atomic hydrogen

F. Fraija , Abdul-Rahman Allouche , M. C. Bacchus-Montabonel
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 1994, 49 (1), pp.272 - 276. ⟨10.1103/PhysRevA.49.272⟩
Journal articles hal-01674131v1

Theoritical study of low-lying electronic states of the CaLi molecule

Abdul-Rahman Allouche , M. Aubert-Frécon
Chemical Physics Letters, 1994, 222 (5), pp.524 - 528. ⟨10.1016/0009-2614(94)00371-8⟩
Journal articles hal-01674128v1

Electronic structure of BaLi. I. Theoretical study

Abdul-Rahman Allouche , M. Aubert‐frécon
The Journal of Chemical Physics, 1994, 100 (2), pp.938 - 944. ⟨10.1063/1.466575⟩
Journal articles hal-01674130v1

A ligand-field approach for the low-lying states of Ca, Sr and Ba monohalides

Abdul-Rahman Allouche , G. Wannous , M. Aubert-Frécon
Chemical Physics, 1993, 170 (1), pp.11 - 22. ⟨10.1016/0301-0104(93)80087-P⟩
Journal articles hal-01674133v1

The B' 2 Delta state of CaF

J. Vergés , C. Effantin , A Bernard , A Topouzkhanian , Abdul-Rahman Allouche
Journal of Physics B: Atomic, Molecular and Optical Physics, 1993, 26 (2), pp.279 - 284. ⟨10.1088/0953-4075/26/2/011⟩
Journal articles hal-01674134v1

Theoretical study of the low-lying electronic states of the BaH+ molecular ion

Abdul-Rahman Allouche , F. Spiegelmann , M. Aubert-Frécon
Chemical Physics Letters, 1993, 204 (3-4), pp.343 - 349. ⟨10.1016/0009-2614(93)90020-2⟩
Journal articles hal-01674132v1

Theoretical study of the electronic structure of the BaH molecule

Abdul-Rahman Allouche , G. Nicolas , J. C. Barthelat , F. Spiegelmann
The Journal of Chemical Physics, 1992, 96 (10), pp.7646 - 7655. ⟨10.1063/1.462365⟩
Journal articles hal-01674135v1

High-dimensional neural network potential for borophene on metallic surfaces

Pierre Mignon , Abdul-Rahman Allouche , Colin Bousige
HOWDI 2024, Sep 2024, Lipperscheid, Luxembourg
Conference papers hal-04908552v1

Machine Learning and Molecular Dynamics – Application to borophene on metallic substrate

Pierre Mignon , Abdul-Rahman Allouche , Colin Bousige
MDANSE, Nov 2024, Grenoble, France
Conference papers hal-04908737v1

High-dimensional neural network potential for borophene on metallic surfaces

Colin Bousige , Pierre Mignon , Abdul-Rahman Allouche , Neil Innis
NanoteC24, Aug 2024, Nantes, France
Conference papers hal-04908516v1

Controlled Ultrafast Charge Transfer Dynamics in Peptides with Tailored Micro-environment

Marius Hervé , Alexie Boyer , Richard Brédy , Isabelle Compagnon , Abdul-Rahman Allouche
Quantum Dynamics and Spectroscopy of Functional Molecular Materials and Biological Photosystems, May 2021, Les Houches, France
Conference papers hal-03739075v1

Ultrafast XUV-induced Dynamics in Gas-phase Complex Molecules

Marius Hervé , Victor Despré , V. Loriot , Alexie Boyer , Richard Brédy
nternational Symposium on Molecular Beams 2021, Jul 2021, virtual, France
Conference papers hal-03739076v1

Edition et Quantification du GABA

B. Tchong Len , H. Ratiney , C. Cudalbu , B. Fenet , S. Cavassila
GRAMM, 2005, Nancy, France. pp.17
Conference papers hal-01879446v1

Edition et Quantification du GABA en Spectrométrie de Résonance Magnétique

B. Tchong Len , H. Ratiney , C. Cudalbu , B. Fenet , S. Cavassila
XIX Congrès du GERM, 2005, Carry le Rouet, France. pp.103
Conference papers hal-01879452v1

Quantitation of Edited GABA Signals

B. Tchong Len , H. Ratiney , C. Cudalbu , B. Fenet , S. Cavassila
Int. Soc. Magnetic Resonance in Medicine, 13th Scientific Meeting and Exhibition, 2005, Miami, Florida, USA, Unknown Region. pp.2761
Conference papers hal-01879445v1

Quantitation of Edited GABA Signals in Magnetic Resonance Spectroscopy

B. Tchong Len , H. Ratiney , C. Cudalbu , B. Fenet , Abdul-Rahman Allouche
Proc. ProRISC, IEEE Benelux, 2004, Veldhoven, The, Netherlands. pp.311-316, on CD
Conference papers hal-01879453v1

Tight Binding and Density Functional Theory of Tailoring Electronic Properties in Al1−xInxN/AlN/GaN High Electron Mobility Transistors (HEMTs)

Meziani Abdelhakim , Abdul-Rahman Allouche , Telia Azzedine , Hilmi Unlu
Progress in Nanoscale and Low-Dimensional Materials and Devices, 144, Springer International Publishing, pp.669-707, 2022, Topics in Applied Physics, 978-3-030-93459-0. ⟨10.1007/978-3-030-93460-6_24⟩
Book sections hal-04267855v1