Lista de obras - Abdul-Rahman Allouche - Dominio Público Uruguay

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

artículo científico publicado en 2006

Ab initio and long-range investigation of the Ω(+/−) states of NaK dissociating adiabatically up to Na(3s 2S1/2) + K(3d 2D3/2) ⬇️

artículo científico publicado el 14 de julio de 2011

Ab initiotreatment of electron capture byB4+ions from atomic hydrogen

artículo científico publicado en 1994

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

artículo científico publicado en 2015

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

artículo científico publicado en 2017

Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles

artículo científico publicado en 2015

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

artículo científico publicado en 2012

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

artículo científico publicado en 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

artículo científico publicado en 2014

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

artículo científico publicado en 2008

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

artículo científico publicado en 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.

artículo científico publicado en 2011

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

artículo científico publicado en 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.

artículo científico publicado en 2015

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

artículo científico publicado en 2017

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 2018

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

artículo científico publicado en 2009

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

artículo científico publicado en 2010

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

artículo científico publicado en 2016

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.

artículo científico publicado en 2007

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

article

Spectroscopic Signatures of Peptides Containing Tryptophan Radical Cations

artículo científico publicado en 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

artículo científico publicado en 2014

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

artículo científico publicado en 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

artículo científico publicado en 2006

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

artículo científico publicado en 2007

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

artículo científico publicado en 2008

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

artículo científico publicado en 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)).

artículo científico publicado en 2009

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

artículo científico publicado en 2012

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

artículo científico publicado en 2007

Vacuum ultraviolet action spectroscopy of polysaccharides.

artículo científico publicado en 2013

Lista de obras de Abdul-Rahman Allouche

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

Ab initio and long-range investigation of the Ω(+/−) states of NaK dissociating adiabatically up to Na(3s 2S1/2) + K(3d 2D3/2) ⬇️

Ab initiotreatment of electron capture byB4+ions from atomic hydrogen

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

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

Atomistic Mechanisms for the Nucleation of Aluminum Oxide Nanoparticles

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

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

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

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

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

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

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

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

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

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.

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

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

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

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

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

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

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

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

Photodetachment of tryptophan anion: an optical probe of remote electron

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

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

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

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

Spectroscopic Signatures of Peptides Containing Tryptophan Radical Cations

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

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

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

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

Theoretical Study of the Electronic Structure of the KRb Molecule

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

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

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

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

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

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

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

Vacuum ultraviolet action spectroscopy of polysaccharides.