Riccardo Spezia
www.lct.jussieu.fr
0000-0001-5160-489X
CNRS
118 papers found
Refreshing results…
Efficient and accurate description of Diels-Alder reactions using density functional theory
Determination of kinetic properties in unimolecular dissociation of complex systems from graph theory based analysis of an ensemble of reactive trajectories
Structure and collision-induced dissociation of the protonated cyclo His-Phe dipeptide: mechanistic studies and stereochemical effects
In Silico Tandem Mass Spectrometer: an Analytical and Fundamental Tool
Unimolecular Fragmentation Properties of Thermometer Ions from Chemical Dynamics Simulations
Exploring reactivity and product formation in N(4S) collisions with pristine and defected graphene with direct dynamics simulations
Computer Simulation of Collision Induced Dissociation and Isolobal Analogy: The Case of Biotin and Its Analogues
Infrared‐Assisted Synthesis of Prebiotic Glycine
Solvation effects drive the selectivity in Diels-Alder reaction under hyperbaric conditions
Collisional dynamics simulations revealing fragmentation properties of Zn(ii)-bound poly-peptide
Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces
Infra-Red Assisted Synthesis of Prebiotic Glycine
Fragmentation Spectra Prediction and DNA Adducts Structural Determination
On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulation
On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulations
On the formation of propylene oxide from propylene in space: gas-phase reactions
l-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations
Response to “Comment on ‘On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii’” [J. Chem. Phys. 150, 097101 (2019)]
Singlet oxygen from cation driven superoxide disproportionation and consequences for aprotic metal–O2 batteries
The formation of urea in space. II. MP2 versus PM6 dynamics in determining bimolecular reaction products
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