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Chemistry (Weinheim an Der Bergstrasse, Germany)|September 29, 2011
Potassium silanide (KSiH3): a reversible hydrogen storage materialJean-Noël Chotard, Wan Si Tang, Pascal Raybaud, et al.
Angewandte Chemie (International Ed. in English)|June 23, 2020
Dynamic Features of Transition States for β-Scission Reactions of Alkenes over Acid Zeolites Revealed by AIMD SimulationsJérôme Rey, Charles Bignaud, Pascal Raybaud, et al.
Physical Chemistry Chemical Physics : PCCP|August 30, 2012
Hydrogenation properties of KSi and NaSi Zintl phasesWan Si Tang, Jean-Noël Chotard, Pascal Raybaud, et al.
Journal of the American Chemical Society|July 24, 2008
Atomic scale insights on chlorinated gamma-alumina surfacesMathieu Digne, Pascal Raybaud, Philippe Sautet, et al.
Physical Chemistry Chemical Physics : PCCP|May 18, 2007
Quantum chemical and vibrational investigation of sodium exchanged gamma-alumina surfacesMathieu Digne, Pascal Raybaud, Philippe Sautet, et al.
Journal of the American Chemical Society|February 14, 2025
Classification and Identification of Facet- and Edge-Specific γ-Al2O3 Surface Sites from 1H/27Al NMR Cross-Signatures and DFT ModelingDomenico Gioffrè, Pierre Florian, Thomas Pigeon, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bondingDavid Chiche, Céline Chizallet, Olivier Durupthy, et al.
Journal of Chemical Theory and Computation|June 5, 2023
Computing Surface Reaction Rates by Adaptive Multilevel Splitting Combined with Machine Learning andThomas Pigeon, Gabriel Stoltz, Manuel Corral-Valero, et al.
Journal of Synchrotron Radiation|November 11, 2025
Operando photocatalytic cell for time-resolved XAS/GC analysis of gas phase CO2 photoreductionSébastien Roth, Audrey Bonduelle-Skrzypczak, Christèle Legens, et al.
Physical Chemistry Chemical Physics : PCCP|August 23, 2014
Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compositions: a first-principles viewpointMoussab Harb, Philippe Sautet, Ela Nurlaela, et al.
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