List of works by Abdul-Rahman Allouche

Ab initio Study of Neutral and Charged SinNap(+)(n≤ 6,p≤ 2) Clusters

scientific article published on 01 January 2006

Ab initiotreatment of electron capture byB4+ions from atomic hydrogen

scientific article published on 01 January 1994

Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate

scientific article

Anomeric memory of the glycosidic bond upon fragmentation and its consequences for carbohydrate sequencing

scientific article published on 17 October 2017

Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles

scientific article published on 27 July 2015

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

scientific article published on 15 June 2012

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

scientific article published on 21 February 2020

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

article published in 2017

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

scientific article

Formation and spectroscopy of a tryptophan radical containing peptide in the gas phase

scientific article

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

scientific article published in March 2017

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

scientific article published on 01 September 2011

Gabedit--a graphical user interface for computational chemistry softwares.

scientific article published on January 2011

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

scientific article published on 25 July 2011

High-lying electronic states of the rubidium dimer-Ab initio predictions and experimental observation of the 5(1)Σu(+) and 5(1)Πu states of Rb2 by polarization labelling spectroscopy.

scientific article

Hydrogen-Induced Adsorption of Carbon Monoxide on the Gold Dimer Cation: A Joint Experimental and DFT Investigation

scientific article

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

scientific article

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

scientific article

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

scientific article published on 19 January 2019

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

scientific article published on 24 April 2019

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

scientific article published on 14 September 2018

Optical properties of isolated hormone oxytocin dianions: ionization, reduction, and copper complexation effects

scientific article

Photo-dissociation of naphthalene dimer cations stored in a compact electrostatic ion storage ring

scientific article published on 01 February 2019

Photodetachment of tryptophan anion: an optical probe of remote electron

scientific article

Photodissociation of Trapped Rb_{2}^{+}: Implications for Simultaneous Trapping of Atoms and Molecular Ions. ⬇️

scientific article

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

article

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

scientific article

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

article

Spectroscopic Signatures of Peptides Containing Tryptophan Radical Cations

scientific article published on 10 October 2011

Spectroscopic diagnostic for the ring-size of carbohydrates in the gas phase: furanose and pyranose forms of GalNAc

scientific article published on 30 May 2019

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

scientific article published on 01 May 2006

TDDFT assessment of functionals for optical 0-0 transitions in small radicals

scientific article published on 11 November 2014

Theoretical Study of Mixed Silicon−Lithium Clusters SinLip(+)(n= 1−6,p= 1−2)

scientific article published on 01 May 2006

Theoretical Study of the Electronic Structure of the KRb Molecule

scientific article published on 01 October 2000

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

scientific article published on 01 March 2006

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

scientific article published on 01 March 2007

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

scientific article published on 01 November 2008

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

scientific article published on 01 July 2004

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

scientific article published in June 2009

Transition dipole moments between the low-lying Ω(g,u)(+∕-) states of the Rb2 and Cs2 molecules.

scientific article published on March 2012

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

scientific article published on 19 June 2007

Vacuum ultraviolet action spectroscopy of polysaccharides.

scientific article

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