Profil

ALLOUCHE Abdul Rahman
ALLOUCHE Abdul Rahman
Equipe:
Team:
Physicochimie Théorique
Téléphone: 0472431929
Bureau: Kastler RDC
Position: PR
Email: abdul-rahman.allouche@univ-lyon1.fr
Site web : https://sites.google.com/site/allouchear/
22 publications à l'ILM ces 5 dernières années. Voir les 80 pubblications des 15 dernières années.
Fragmentation dynamics of meso-tetraphenyl iron (III) porphyrin chloride dication under energy control
Journal of Chemical Physics, vol. 146, p. Journal of Chemical Physics (2017)
IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates
Schindler B. Barnes L. Gray C. J. Chambert S. Flitsch S. L. Oomens J. Daniel R. Allouche A. R. Compagnon I.
Journal of Physical Chemistry A, vol. 121, p. Journal of Physical Chemistry A (2017)
Bottom-Up Elucidation of Glycosidic Bond Stereochemistry
Gray C. J. Schindler B. Migas L. G. Picmanova M. Allouche A. R. Green A. P. Mandal S. Motawia M. S. Sanchez-Perez R. Bjarnholt N. Moller B. L. Rijs A. M. Barran P. E. Compagnon I. Eyers C. E. Flitsch S. L.
Analytical Chemistry, vol. 89, p. Analytical Chemistry (2017)
Fast and accurate hybrid QM//MM approach for computing anharmonic corrections to vibrational frequencies.
Barnes Loic Schindler Baptiste Compagnon Isabelle Allouche Abdul-Rahman
Journal of molecular modeling, vol. 22, p. Journal of molecular modeling (2016)
Photodissociation of Trapped Rb-2(+) : Implications for Simultaneous Trapping of Atoms and Molecular Ions
Jyothi S. Ray Tridib Dutta Sourav Allouche A. R. Vexiau Romain Dulieu Olivier Rangwala S. A.
Physical Review Letters, vol. 117, p. Physical Review Letters (2016)
MS/IR, a new MS-based hyphenated method for analysis of hexuronic acid epimers in glycosaminoglycans.
Schindler Baptiste Renois-Predelus Gina Bagdadi Nassiba Melizi Sihem Barnes Loic Chambert Stephane Allouche Abdul-Rahman Compagnon Isabelle
Glycoconjugate journal, vol. aucun volume trouv, p. Glycoconjugate journal (2016)
Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles
Journal of Physical Chemistry A, vol. 119, p. Journal of Physical Chemistry A (2015)
Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate
Barnes Loic Schindler Baptiste Allouche Abdul-Rahman Simon Daniel Chambert Stephane Oomens Jos Compagnon Isabelle
Physical Chemistry Chemical Physics, vol. 17, p. Physical Chemistry Chemical Physics (2015)
Theoretical investigation on electronic, optical, and charge transport properties of new anthracene derivatives
Touhami A. Ben Chaabane R. Allouche A. R.
Computational and Theoretical Chemistry, vol. 1073, p. Computational and Theoretical Chemistry (2015)
Fast radiative cooling of anthracene: Dependence on internal energy
Martin S. Ji M. Bernard J. Bredy R. Concina B. Allouche A. R. Joblin C. Ortega C. Montagne G. Cassimi A. Ngono-Ravache Y. Chen L.
Physical Review A, vol. 92, p. Physical Review A (2015)
Observation of the 4(1)Sigma(+)(g) State of Rb-2
Han X. Yang J. Guan Y. Zhou Z. Zhao W. Allouche A. R. Magnier S. Ahmed E. H. Lyyra A. M. Dai X.
Chemical Physics Letters, vol. 601, p. Chemical Physics Letters (2014)
Distinguishing isobaric phosphated and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy
Schindler B. Joshi J. Allouche A. R. Simon D. Chambert S. Brites V. Gaigeot M. P. Compagnon I.
Physical Chemistry Chemical Physics, vol. 16, p. Physical Chemistry Chemical Physics (2014)
TDDFT Assessment of Functionals for Optical 0-0 Transitions in Small Radicals
Barnes L. Abdul-Al S. Allouche A. R.
Journal of Physical Chemistry A, vol. 118, p. Journal of Physical Chemistry A (2014)
Upper bound to the ionization energy of Rb-85(2)
Bellos M. A. Carollo R. Banerjee J. Ascoli M. Allouche A. -. R. Eyler E. E. Gould P. L. Stwalley W. C.
Physical Review A, vol. 87, p. Physical Review A (2013)
Theoretical investigation of the lithium 2p <- 2s photoabsorption spectra perturbed by atomic hydrogen
Lamoudi N. Bouledroua M. Alioua K. Allouche A. -. R. Aubert-Frecon M.
Physical Review A, vol. 87, p. Physical Review A (2013)
Vacuum Ultraviolet Action Spectroscopy of Polysaccharides
Enjalbert Quentin Brunet Claire Vernier Arnaud Allouche Abdul-Rahman Antoine Rodolphe Dugourd Philippe Lemoine Jerome Giuliani Alexandre Nahon Laurent
Journal of the American Society For Mass Spectrometry, vol. 24, p. Journal of the American Society For Mass Spectrometry (2013)
Transition dipole moments between the low-lying Omega((+/-))(g,u) states of the Rb-2 and Cs-2 molecules
Allouche Abdul-Rahman Aubert-Frecon Monique
Journal of Chemical Physics, vol. 136, p. Journal of Chemical Physics (2012)
Photoabsorption profile and satellite features of the potassium 4s -> 4p transition perturbed by ground-state helium atoms
Boutarfa H. Alioua K. Bouledroua M. Allouche A. -. R. Aubert-Frecon M.
Physical Review A, vol. 86, p. Physical Review A (2012)
Gabedit-A Graphical User Interface for Computational Chemistry Softwares
Journal of Computational Chemistry, vol. 32, p. Journal of Computational Chemistry (2011)
Density functional theory (DFT) calculations of the proton nuclear magnetic resonance (NMR) spin-Hamiltonian parameters for serine
Atieh Z. Allouche A. R. Graveron-Demilly D. Aubert-Frecon M.
Measurement Science [SLASH]& Technology, vol. 22, p. Measurement Science [SLASH]& Technology (2011)
Spectroscopic Signatures of Peptides Containing Tryptophan Radical Cations
Bellina Bruno Compagnon Isabelle Houver Sarah Maitre Philippe Allouche Abdul-Rahman Antoine Rodolphe Dugourd Philippe
Angewandte Chemie-international Edition, vol. 50, p. Angewandte Chemie-international Edition (2011)
Gas phase Photo-Formation and Vacuum UV Photofragmentation Spectroscopy of Tryptophan and Tyrosine Radical-Containing Peptides
Brunet Claire Antoine Rodolphe Allouche Abdul-Rahman Dugourd Philippe Canon Francis Giuliani Alexandre Nahon Laurent
Journal of Physical Chemistry A, vol. 115, p. Journal of Physical Chemistry A (2011)
Optimization of metabolite basis sets prior to quantitation in magnetic resonance spectroscopy: an approach based on quantum mechanics
Lazariev A. Allouche A. -. R. Aubert-Frecon M. Fauvelle F. Piotto M. Elbayed K. Namer I. -. J. van Ormondt D. Graveron-Demilly D.
Measurement Science [SLASH]& Technology, vol. 22, p. Measurement Science [SLASH]& Technology (2011)
A quantum mechanics-based approach for optimization of metabolite basis-sets. Application to quantitation of HRMAS-NMR signals
Lazariev A. Allouche A. -. R. Aubert-Frecon M. Fauvelle F. Piotto M. Elbayed K. Namer I. -. J. van Ormondt D. Graveron-Demilly D.
Irbm, vol. 32, p. Irbm (2011)
DFT calculations of isomer effects upon NMR spin-Hamiltonian parameters of prostate polyamines
Atieh Z. Allouche A. R. Aubert-Frecon M.
Journal of Molecular Structure-theochem, vol. 945, p. Journal of Molecular Structure-theochem (2010)
DFT calculations of H-1 chemical shifts, simulated and experimental NMR spectra for sarcosine
Atieh Z. Allouche A. R. Lazariev A. Van Ormondt D. Graveron-Demilly D. Aubert-Frecon M.
Chemical Physics Letters, vol. 492, p. Chemical Physics Letters (2010)
Rapid, Accurate and Simple Model to Predict NMR Chemical Shifts for Biological Molecules
Atieh Zeinab Aubert-Frecon Monique Allouche Abdul-Rahman
Journal of Physical Chemistry B, vol. 114, p. Journal of Physical Chemistry B (2010)
UV spectroscopy of entire proteins in the gas phase
Bellina B. Compagnon I. Joly LL. Albrieux F. Allouche A. R. Bertorelle F. Lemoine J. Antoine R. Dugourd Ph
International Journal of Mass Spectrometry, vol. 297, p. International Journal of Mass Spectrometry (2010)
UV electronic excitations in acidic sugars
Racaud A. Allouche A. R. Antoine R. Lemoine J. Dugourd P.
Journal of Molecular Structure-theochem, vol. 960, p. Journal of Molecular Structure-theochem (2010)
Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s-3p)
Allouche A. R. Alioua K. Bouledroua M. Aubert-Frecon M.
Chemical Physics, vol. 355, p. Chemical Physics (2009)
Density functional theory calculations of the nuclear magnetic resonance spin-Hamiltonian parameters for two polyamines of prostate tissue: spermidine and spermine
Atieh Z. Allouche A. R. Graveron-Demilly D. Fauvelle F. Aubert-Frecon M.
Measurement Science [SLASH]& Technology, vol. 20, p. Measurement Science [SLASH]& Technology (2009)
Theoretical investigation of the ((+/-))(g,u) states of K-2 dissociating adiabatically up to K(4p P-2(3/2))+K(4p P-2(3/2))
Jraij A. Allouche A. R. Magnier S. Aubert-Frecon M.
Journal of Chemical Physics, vol. 130, p. Journal of Chemical Physics (2009)
Self-broadening and shifting of the Li(2s-2p) and K(4s-4p) line cores
Reggami L. Bouledroua M. Allouche A. R. Aubert-Frecon M.
Journal of Quantitative Spectroscopy [SLASH]& Radiative Transfer, vol. 110, p. Journal of Quantitative Spectroscopy [SLASH]& Radiative Transfer (2009)
Theoretical Electronic Structure of the Molecule ScI
Korek M. Kontar S. Taher-Mansour F. Allouche A. R.
International Journal of Quantum Chemistry, vol. 109, p. International Journal of Quantum Chemistry (2009)
Far-wing profile of photoabsorption spectra of Na(3s-3p) atoms perturbed by helium
Alioua K. Bouledroua M. Allouche A. R. Aubert-Frecon M.
Journal of Physics B-atomic Molecular and Optical Physics, vol. 41, p. Journal of Physics B-atomic Molecular and Optical Physics (2008)
Theoretical and experimental investigation of the (1)H NMR spectrum of putrescine
Allouche A. R. Graveron-Demilly D. Fauvelle F. Aubert-Frecon M.
Chemical Physics Letters, vol. 466, p. Chemical Physics Letters (2008)
Ab initio calclulations of NMR spin-Hamiltonian parameters for the polyamines of prostate tissue
Atieh Z. Allouche A. R. Frecon M. Graveron-Demilly D. Fauvelle F.
2008 Ieee International Workshop On Imaging Systems and Techniques, vol. 2008, p. 2008 Ieee International Workshop On Imaging Systems and Techniques (2008)
Formation and spectroscopy of a tryptophan radical containing peptide in the gas phase
Journal of the American Chemical Society, vol. 130, p. Journal of the American Chemical Society (2008)
Theoretical spin-orbit structure of the alkali dimer cation K-2(+)
Jraij A. Allouche A. R. Magnier S. Aubert-Frecon M.
Canadian Journal of Physics, vol. 86, p. Canadian Journal of Physics (2008)
Theoretical calculation of the low lying electronic states of the molecular ion RbH+ with spin-orbit effects
Korek M. Hammoud S. Allouche A. R. Harb T.
Journal of Chemical Physics, vol. 129, p. Journal of Chemical Physics (2008)
Theoretical study with spin-orbit effects and electronic transition moment calculation of the ion NaCs+
Korek M. Badreddine K. Allouche A. R.
Canadian Journal of Physics, vol. 86, p. Canadian Journal of Physics (2008)
Quantum chemistry-based NMR spin Hamiltonian parameters of GABA for quantitation in magnetic resonance spectroscopyw
Allouche A. R. Aubert-Frecon M. Graveron-Demilly D.
Physical Chemistry Chemical Physics, vol. 9, p. Physical Chemistry Chemical Physics (2007)
Theoretical structure of the low-laying electronic states of the molecule YBr
Abdul-Al S. Korek M. Allouche A. R. Frecon M. Aubert
International Journal of Quantum Chemistry, vol. 107, p. International Journal of Quantum Chemistry (2007)
Theoretical calculation of the low laying electronic states of the molecule NaCs with spin-orbit effect
Korek M. Bleik S. Allouche A. R.
Journal of Chemical Physics, vol. 126, p. Journal of Chemical Physics (2007)
Ab initio study of neutral and charged SinNap(+) (n <= 6, p <= 2) clusters
Sporea C. Rabilloud F. Allouche A. R. Frecon M.
Journal of Physical Chemistry A, vol. 110, p. Journal of Physical Chemistry A (2006)
Theoretical study of mixed silicon-lithium clusters SinLip(+) (n=1-6, p=1-2)
Sporea C. Rabilloud F. Cosson X. Allouche A. R. Aubert-Frecon M.
Journal of Physical Chemistry A, vol. 110, p. Journal of Physical Chemistry A (2006)
Theoretical study with rovibrational and electronic transition moment calculation of the ion LiCs+
Korek M. Moghrabi A. M. Allouche A. R. Frecon M. Aubert
Canadian Journal of Physics, vol. 84, p. Canadian Journal of Physics (2006)
Theoretical calculation of the excited states of the KCs molecule including the spin-orbit interaction
Korek M. Moghrabi Y. A. Allouche A. R.
Journal of Chemical Physics, vol. 124, p. Journal of Chemical Physics (2006)
Theoretical electronic structure of the lowest-lying states of the YI molecule
Abdul-Al S. Allouche A. R. Korek M. Aubert-Frecon M.
Chemical Physics, vol. 308, p. Chemical Physics (2005)
Electronic properties of mixed lithium-oxygen clusters
Viallon J. Lebeault M. A. Lepine F. Chevaleyre J. Jonin C. Allouche A. R. Aubert-Frecon M.
European Physical Journal D, vol. 33, p. European Physical Journal D (2005)
Theoretical structure of the low lying electronic states of yttrium fluoride YF
Abdul-Al S. Korek M. Allouche A. R. Frecon M. A.
Chemical Physics, vol. 315, p. Chemical Physics (2005)
Theoretical electronic structure including spin-orbit effects of the alkali dimer cation Cs-2(+)
Jraij A. Allouche A. R. Korek M. Aubert-Frecon M.
Chemical Physics, vol. 310, p. Chemical Physics (2005)
Theoretical determination of highly excited states of K-2 correlated adiabatically above K(4p)+K(4p)
Magnier S. Aubert-Frecon M. Allouche A. R.
Journal of Chemical Physics, vol. 121, p. Journal of Chemical Physics (2004)
Theoretical electronic structure of the lowest-lying states of the LaCl molecule
Fahs H. Korek M. Allouche A. R. Aubert-Frecon M.
Chemical Physics, vol. 299, p. Chemical Physics (2004)
Electric dipole of metal-benzene sandwiches
Chemical Physics Letters, vol. 375, p. Chemical Physics Letters (2003)
Structural electric dipole in small ionic nanocrystals
Chemical Physics Letters, vol. 367, p. Chemical Physics Letters (2003)
Theoretical electronic structure of the lowest-lying states of the LaI molecule
Taher-Mansour F. Allouche A. R. Aubert-Frecon M.
Journal of Molecular Spectroscopy, vol. 221, p. Journal of Molecular Spectroscopy (2003)
Static anisotropic and isotropic electric dipole polarizabilities of NanFn-1 clusters
Durand G. Spiegelman F. Allouche A. R.
European Physical Journal D, vol. 24, p. European Physical Journal D (2003)
Theoretical electronic structure of the alkali-dimer cation Rb-2(+)
Jraij A. Allouche A. R. Korek M. Aubert-Frecon M.
Chemical Physics, vol. 290, p. Chemical Physics (2003)
Theoretical study of the low-lying electronic states of the molecular ion KRb+
Korek M. Younes G. Allouche A. R.
International Journal of Quantum Chemistry, vol. 92, p. International Journal of Quantum Chemistry (2003)
Electric dipole moments and polarizabilities of single excess electron sodium fluoride clusters: Experiment and theory
Rayane D. Compagnon I. Antoine R. Broyer M. Dugourd P. Labastie P. L[QUOTE]Hermite J. M. Le Padellec A. Durand G. Calvo F. Spiegelman F. Allouche A. R.
Journal of Chemical Physics, vol. 116, p. Journal of Chemical Physics (2002)
The theoretical spin-orbit structure of the RbCs molecule
Fahs H. Allouche A. R. Korek M. Aubert-Frecon M.
Journal of Physics B-atomic Molecular and Optical Physics, vol. 35, p. Journal of Physics B-atomic Molecular and Optical Physics (2002)
Theoretical electronic structure of the lowest-lying states of the LaF molecule
Fahs H. Allouche A. R. Korek M. Aubert-Frecon M.
Journal of Chemical Physics, vol. 117, p. Journal of Chemical Physics (2002)
Potential curves and rovibrational energies for electronic states of the molecular ion KCs+
Korek M. Allouche A. R. Al S. N. A.
Canadian Journal of Physics, vol. 80, p. Canadian Journal of Physics (2002)
Computed electron affinity of carbon clusters C-n up to n=20 and fragmentation energy of anions
Journal of Physical Chemistry A, vol. 106, p. Journal of Physical Chemistry A (2002)
Pure long-range ion-pair Cs-2 molecules
Ban T. Skenderovic H. Beuc R. Bronic I. K. Rousseau S. Allouche A. R. Aubert-Frecon M. Pichler G.
Chemical Physics Letters, vol. 345, p. Chemical Physics Letters (2001)
Theoretical study of the low-lying electronic states of the RbCs+ molecular ion
Korek M. Allouche A. R.
Journal of Physics B-atomic Molecular and Optical Physics, vol. 34, p. Journal of Physics B-atomic Molecular and Optical Physics (2001)
Electronic properties of mixed barium-oxygen clusters
Boutou V. Lebeault M. A. Allouche A. R. Paulig F. Viallon J. Bordas C. Chevaleyre J.
Journal of Chemical Physics, vol. 112, p. Journal of Chemical Physics (2000)
Theoretical electronic structure of RbCs revisited
Allouche A. R. Korek M. Fakherddin K. Chaalan A. Dagher M. Taher F. Aubert-Frecon M.
Journal of Physics B-atomic Molecular and Optical Physics, vol. 33, p. Journal of Physics B-atomic Molecular and Optical Physics (2000)
Theoretical study of the electronic structure of LiCs, NaCs, and KCs molecules
Korek M. Allouche A. R. Fakhreddine K. Chaalan A.
Canadian Journal of Physics, vol. 78, p. Canadian Journal of Physics (2000)
Theoretical study of the electronic structure of the LiRb and NaRb molecules
Korek M. Allouche A. R. Kobeissi M. Chaalan A. Dagher M. Fakherddin K. Aubert-Frecon M.
Chemical Physics, vol. 256, p. Chemical Physics (2000)
Theoretical study of the electronic structure of the KRb molecule
Rousseau S. Allouche A. R. Aubert-Frecon M.
Journal of Molecular Spectroscopy, vol. 203, p. Journal of Molecular Spectroscopy (2000)
Static electric dipole polarizabilities of alkali clusters
Rayane D. Allouche A. R. Benichou E. Antoine R. Aubert-Frecon M. Dugourd P. Broyer M. Ristori C. Chandezon F. Huber B. A. Guet C.
European Physical Journal D, vol. 9, p. European Physical Journal D (1999)
Static dipole polarizability of small mixed sodium-lithium clusters
Journal of Chemical Physics, vol. 110, p. Journal of Chemical Physics (1999)
Potential energy curves of 58 states of Li-2(+)
Magnier S. Rousseau S. Allouche A. R. Hadinger G. Aubert-Frecon M.
Chemical Physics, vol. 246, p. Chemical Physics (1999)
Theoretical study of the electronic structure of KLi and comparison with experiments
Rousseau S. Allouche A. R. Aubert-Frecon M. Magnier S. Kowalczyk P. Jastrzebski W.
Chemical Physics, vol. 247, p. Chemical Physics (1999)
Predictions of geometrical structures and ionization potentials for small barium clusters Ba-n
Boutou V. Allouche A. R. Spiegelmann F. Chevaleyre J. Frecon M. A.
European Physical Journal D, vol. 2, p. European Physical Journal D (1998)
Structural transition in barium suboxide clusters
Boutou V. Lebeault M. A. Allouche A. R. Bordas C. Paulig F. Viallon J. Chevaleyre J.
Physical Review Letters, vol. 80, p. Physical Review Letters (1998)
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