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List of works by Gilles Grégoire

A comprehensive study of cold protonated tyramine: UV photodissociation experiments and ab initio calculations.

scientific article published in October 2015

Ab initio molecular dynamics of protonated dialanine and comparison to infrared multiphoton dissociation experiments.

scientific article published in July 2006

Ab initio study of the excited-state deactivation pathways of protonated tryptophan and tyrosine

scientific article published on 21 April 2007

Bonding of heme Fe(III) with dioxygen: observation and characterization of an incipient bond.

scientific article published on 10 June 2015

Characterization of neutral fragments issued from the photodissociation of protonated tryptophane.

scientific article published on 8 August 2007

Charge Separation in Molecular Clusters: Dissolution of a Salt in a Salt-(Solvent)(n)() Cluster

scientific article published on 01 November 2000

Comprehensive characterization of the photodissociation pathways of protonated tryptophan.

scientific article published in October 2007

Conformer- and Mode-Specific Excited State Lifetimes of Cold Protonated Tyrosine Ions

scientific article published on 8 December 2014

Control of bond-cleaving reactions of free protonated tryptophan ion by femtosecond laser pulses.

scientific article published in March 2005

Dioxygen Binding to Protonated Heme in the Gas Phase, an Intermediate Between Ferric and Ferrous Heme

scientific article

Electronic spectra of the protonated indole chromophore in the gas phase.

scientific article

Evaluation of MP2, DFT, and DFT-D methods for the prediction of infrared spectra of peptides.

scientific article

Evaluation of the ONIOM method for interpretation of infrared spectra of gas-phase molecules of biological interest

scientific article published in July 2009

Excited State Dynamics of Cold Protonated Cytosine Tautomers: Characterization of Charge Transfer, Intersystem Crossing, and Internal Conversion Processes.

scientific article

Excited State Dynamics of Protonated Phenylalanine and Tyrosine: Photo-Induced Reactions Following Electronic Excitation

scientific article

Excited-state proton transfer in protonated adrenaline revealed by cryogenic UV photodissociation spectroscopy

scientific article published on 12 May 2020

Experimental observation of the transition between gas-phase and aqueous solution structures for acetylcholine, nicotine, and muscarine ions

scientific article

Gas-phase structure of amyloid-β (12-28) peptide investigated by infrared spectroscopy, electron capture dissociation and ion mobility mass spectrometry.

scientific article

Infrared Signature of DNA G-Quadruplexes in the Gas Phase

scientific article published on 19 January 2008

Infrared study of the bacterial autoinducer N-hexanoyl-homoserine lactone (C6-HSL) in the gas-phase, water, and octanol solutions

scientific article published on 04 August 2011

Investigation of the protonation site in the dialanine peptide by infrared multiphoton dissociation spectroscopy

Mechanisms of photoinduced Calpha[Single Bond]Cbeta bond breakage in protonated aromatic amino acids

scientific article published on 01 April 2008

Molecular Recognition by a Short Partial Peptide of the Adrenergic Receptor: A Bottom-Up Approach.

scientific article published on 22 February 2018

Multiscale excited state lifetimes of protonated dimethyl aminopyridines

scientific article published on 15 August 2016

Non-radiative processes in protonated diazines, pyrimidine bases and an aromatic azine.

scientific article

Photodissociation Spectroscopy of Cold Protonated Synephrine: Surprising Differences between IR-UV Hole-Burning and IR Photodissociation Spectroscopy of the O-H and N-H Modes

scientific article published on 09 April 2018

Photofragmentation spectroscopy of cold protonated aromatic amines in the gas phase

scientific article published on 01 March 2014

Photoionization of 2-pyridone and 2-hydroxypyridine.

scientific article

Probing the specific interactions and structures of gas-phase vancomycin antibiotics with cell-wall precursor through IRMPD spectroscopy.

scientific article

Resonant infrared multiphoton dissociation spectroscopy of gas-phase protonated peptides. Experiments and Car-Parrinello dynamics at 300 K.

scientific article

Slow photoelectron spectroscopy of δ-valerolactam and its dimer

scientific article published on 25 May 2011

Statistical vs. non-statistical deactivation pathways in the UV photo-fragmentation of protonated tryptophan-leucine dipeptide.

scientific article published on 24 October 2005

Structural features and protonation site of epibatidine in the gas phase: an investigation through infrared multiphoton dissociation spectroscopy and computational chemistry

scientific article published on 06 December 2010

Tautomerism and electronic spectroscopy of protonated 1- and 2-aminonaphthalene.

scientific article published on 16 February 2018

The dramatic effect of N-methylimidazole on trans axial ligand binding to ferric heme: experiment and theory

scientific article published on 01 January 2019

The parent anion of the RGD tripeptide: Photoelectron spectroscopy and quantum chemistry calculations.

scientific article

Transferable specific scaling factors for interpretation of infrared spectra of biomolecules from density functional theory

scientific article

Trapped Hydronium Radical Produced by Ultraviolet Excitation of Substituted Aromatic Molecule.

scientific article published on 4 December 2015

Twisted Intramolecular Charge Transfer in Protonated Amino Pyridine.

scientific article

UV Photofragmentation of Cold Cytosine-M+ Complexes (M+: Na+, K+, Ag+)

scientific article published on 27 August 2019

UV Photoinduced Dynamics of Conformer-Resolved Aromatic Peptides

scientific article published on 19 August 2019

Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures.

scientific article

Water binding to FeIII hemes studied in a cooled ion trap: characterization of a strong 'weak' ligand

scientific article published on 18 September 2019

Zwitterionic i-motif structures are preserved in DNA negatively charged ions produced by electrospray mass spectrometry.

scientific article published on 14 September 2010

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