Robin Chaudret

Physics and Astronomy · Physical Sciences

14h-index5.0kcitations34works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(11), Crystallography and molecular interactions(8), Protein Structure and Dynamics(7), Spectroscopy and Quantum Chemical Studies(7), Machine Learning in Materials Science(5)

Publications34 total

Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed formulations
Physical Chemistry Chemical Physics·2022· 24 cited
Shearing Friction Behaviour of Synthetic Polymers Compared to a Functionalized Polysaccharide on Biomimetic Surfaces: Models for the Prediction of Performance of Eco-designed Formulations
2022Open Access
Shearing Friction Behaviour of Synthetic Polymers Compared to a Functionalized Polysaccharide on Biomimetic Surfaces: Models for the Prediction of Performance of Eco-designed Formulations
2022· 1 citedOpen Access
NCI: looking at solute/solvent interactions
Electronic Structure·2021· 1 citedOpen Access
Raney Nickel Catalyst – A Molecular Modeling Study
TechConnect Briefs·2017
Theoretical Modeling of Thermal Decomposition of Methylnaphthalene Derivatives: Influence of Substituents
Energy & Fuels·2016· 10 cited
A Complete NCI Perspective: From New Bonds to Reactivity
Challenges and advances in computational chemistry and physics·2016· 59 citedOpen Access
Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System
Molecular modeling and simulation·2016· 2 cited
Molecular modeling and simulation of Raney Nickel: From alloy precursor to the final porous catalyst
Computational Materials Science·2015· 12 cited
Addressing the Issues of Non-isotropy and Non-additivity in the Development of Quantum Chemistry-Grounded Polarizable Molecular Mechanics
Challenges and advances in computational chemistry and physics·2015· 2 citedOpen Access
Prediction of absorption wavelengths using a combination of semi-empirical quantum mechanics simulations and quantitative structure–property relationship modeling approaches
Journal of Photochemistry and Photobiology A Chemistry·2014· 4 cited
S/G-1: An ab Initio Force-Field Blending Frozen Hermite Gaussian Densities and Distributed Multipoles. Proof of Concept and First Applications to Metal Cations
The Journal of Physical Chemistry A·2014· 23 cited
Revisiting H<sub>2</sub>O Nucleation around Au<sup>+</sup>and Hg<sup>2+</sup>: The Peculiar “Pseudo-Soft” Character of the Gold Cation
Journal of Chemical Theory and Computation·2014· 8 citedOpen Access
Nonclassical CH−π Supramolecular Interactions in Artemisinic Acid Favor a Single Conformation, Yielding High Diastereoselectivity in the Reduction with Diazene
The Journal of Organic Chemistry·2014· 13 cited
Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy
Physical Chemistry Chemical Physics·2013· 176 cited
Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes
Journal of Chemical Theory and Computation·2013· 74 cited
Further refinements of next-generation force fields — Nonempirical localization of off-centered points in molecules
Canadian Journal of Chemistry·2013· 11 citedOpen Access
Noncovalent Interaction Analysis in Fluctuating Environments
Journal of Chemical Theory and Computation·2013· 221 citedOpen Access
QM/<scp>MM</scp> modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis
FEBS Journal·2013· 34 cited
Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs
The Journal of Chemical Physics·2013· 10 citedOpen Access
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Frequent Co-authors

Jean‐Philip Piquemal(17), G. Andrés Cisneros(7), Julia Contreras‐García(6), Weitao Yang(6), Olivier Parisel(6), Christophe Narth(4), Benoît de Courcy(3), Benjamin J. Coscia(3), John C. Shelley(3), Andrea Browning(3), Jeffrey M. Sanders(3), Roger Rozot(3), Fabien Léonforte(3), Mathew D. Halls(3), Gustavo S. Luengo(3), John J. Low(3), Xiangqian Hu(2), Pengyu Ren(2), Nohad Gresh(2), Louis Lagardère(2)