Laboratoire de Chimie Théorique
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Unimolecular Fragmentation of Deprotonated Diproline [Pro-H] Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy.
The journal of physical chemistry. A Mar, 2018 | Pubmed ID: 29451797
Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H).
Physical chemistry chemical physics : PCCP Aug, 2018 | Pubmed ID: 30039132
l-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations.
The journal of physical chemistry. A May, 2019 | Pubmed ID: 30945861
On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulation.
The journal of physical chemistry. A Oct, 2019 | Pubmed ID: 31509415
Fragmentation Spectra Prediction and DNA Adducts Structural Determination.
Journal of the American Society for Mass Spectrometry Dec, 2019 | Pubmed ID: 31696434
Infrared-Assisted Synthesis of Prebiotic Glycine.
Chemphyschem : a European journal of chemical physics and physical chemistry 03, 2020 | Pubmed ID: 31990427
Solvation effects drive the selectivity in Diels-Alder reaction under hyperbaric conditions.
Chemical communications (Cambridge, England) Jun, 2020 | Pubmed ID: 32432613
Collisional dynamics simulations revealing fragmentation properties of Zn(ii)-bound poly-peptide.
Physical chemistry chemical physics : PCCP Jul, 2020 | Pubmed ID: 32596702
Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces.
Journal of the American Society for Mass Spectrometry Jan, 2020 | Pubmed ID: 32881516
Exploring reactivity and product formation in N(S) collisions with pristine and defected graphene with direct dynamics simulations.
The Journal of chemical physics Nov, 2020 | Pubmed ID: 33187414
Unimolecular Fragmentation Properties of Thermometer Ions from Chemical Dynamics Simulations.
Journal of the American Society for Mass Spectrometry Jan, 2021 | Pubmed ID: 33210535
Determination of kinetic properties in unimolecular dissociation of complex systems from graph theory based analysis of an ensemble of reactive trajectories.
The Journal of chemical physics Sep, 2021 | Pubmed ID: 34598552