ALLOUCHE Abdul Rahman
  • Physicochimie théorique
  • BRILLOUIN / 2ème / 12-015a
  • 0787099194
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, vol. 138, p56 (2019)
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, vol. 1198, p126832 (2019)
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, Eric Saint-Aman, Frédérique Loiseau, Christain Philouze, Abdul-Rahman Allouche, Habib Nasri
Chemical Engineering Journal, vol. 375, p122005 (2019)
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, vol. 21, p12460-12467 (2019)
On-the-Fly Femtosecond Action Spectroscopy of Charged Cyanine Dyes: Electronic Structure versus Geometry
Marius Hervé, Richard Brédy, Gabriel Karras, Bruno Concina, Jeffery Brown, Abdul-Rahman Allouche, Franck Lepine, Isabelle Compagnon
Journal of Physical Chemistry Letters, vol. 10, p2300-2305 (2019)
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, Mohamed Hassen V. Baouab
Applied Organometallic Chemistry, vol. 33, pe5218 (2019)
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, vol. 28, p103103 (2019)
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, vol. 91, p1232-1245 (2018)
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, Vincent Dugas, Claire Demesmay, Isabelle Compagnon
Analytical Chemistry, vol. 90, p11741-11745 (2018)
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, vol. 1173, p894-902 (2018)
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, Pierre Mignon, Philippe Dugourd
Journal of Physical Chemistry A, vol. 121, p4404 - 4411 (2017)
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, vol. 488-489, p28 - 35 (2017)
IRMPD Spectroscopy Sheds New (Infrared) Light on the Sulfate Pattern of Carbohydrates
Baptiste Schindler, Loïc Barnes, C. Gray, S. Chambert, L. Flitsch, J. Oomens, Régis Daniel, Abdul-Rahman Allouche, Isabelle Compagnon
Journal of Physical Chemistry A, vol. 121, p2114-2120 (2017)
Bottom-Up Elucidation of Glycosidic Bond Stereochemistry
Christopher Gray, Baptiste Schindler, Lukasz G. Migas, Martina Pičmanová, Abdul-Rahman Allouche, Anthony P. Green, Santanu Mandal, Mohammed S. Motawia, Raquel Sánchez-Pérez, Nanna Bjarnholt, Birger L. Møller, Anouk M. Rijs, Perdita E. Barran, Isabelle Compagnon, Claire E. Eyers, Sabine L. Flitsch
Analytical Chemistry, vol. 89, p4540 - 4549 (2017)
Fragmentation dynamics of meso-tetraphenyl iron (III) porphyrin chloride dication under energy control
B. Li, Abdul-Rahman Allouche, Jérôme Bernard, Richard Brédy, D. B. Qian, Y. Zhou, Serge Martin, Lin Chen
The Journal of Chemical Physics, vol. 146 (2017)
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, vol. 421, p116 - 123 (2017)
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, Stéphane Chambert, Abdul-Rahman Allouche, Isabelle Compagnon
Glycoconjugate Journal, vol. 34, p421 - 425 (2017)
Anomeric memory of the glycosidic bond upon fragmentation and its consequences for carbohydrate sequencing
Baptiste Schindler, Loïc Barnes, Gina Renois, Christopher Gray, Stéphane Chambert, Sébastien Fort, Sabine Flitsch, Claire Loison, Abdul-Rahman Allouche, Isabelle Compagnon
Nature Communications, vol. 8, p973 (2017)
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, vol. 22 (2016)
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