Sautet, Philippe, 1961-...., chimiste
Philippe Sautet
Sautet, Philippe, 1961-
Sautet, Philippe
VIAF ID: 78896226 (Personal)
Permalink: http://viaf.org/viaf/78896226
Preferred Forms
- 100 0 _ ‡a Philippe Sautet
- 100 0 _ ‡a Philippe Sautet
- 100 1 _ ‡a Sautet, Philippe (sparse)
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- 100 1 _ ‡a Sautet, Philippe, ‡d 1961-
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- 100 1 _ ‡a Sautet, Philippe, ‡d 1961-...., ‡c chimiste
4xx's: Alternate Name Forms (19)
5xx's: Related Names (1)
- 511 2 _ ‡a Laboratoire de chimie (2003-….)
Works
Title | Sources |
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Ab initio Molecular Modelling of the Dealumination and Desilication Mechanisms of Relevant Zeolite Frameworks | |
Achieving High Selectivity for Alkyne Hydrogenation at High Conversions with Compositionally Optimized PdAu Nanoparticle Catalysts in Raspberry Colloid-Templated SiO 2 | |
Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can. | |
Analyse théorique de surfaces de MgO (100) : modélisation d'images d'AFM et de défauts de stoechiométrie | |
Approche théorique de la réactivité des isonitriles en chimie organique | |
Atomically Dispersed Pt1-Polyoxometalate Catalysts: How Does Metal-Support Interaction Affect Stability and Hydrogenation Activity? | |
C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex | |
Catalytic reactivity at high coverage : a theoretical approach. | |
Combined approaches theory experiment for the asymmetrical catalysis of hydrogenation. | |
Computational methods in catalysis and materials science, c2009: | |
Dérivés de la biomasse en catalyse hétérogène : adsorption, réactivité et support depuis les premiers principes. | |
Development of a novel methodology for kinetic modelling of heavy oil refining processes. | |
Développement d'une méthodologie de modélisation cinétique de procédés de raffinage traitant des charges lourdes | |
DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd(ii)/Al-MCM-41 | |
Diffusion Barriers for Carbon Monoxide on the Cu(001) Surface Using Many-Body Perturbation Theory and Various Density Functionals | |
Direct Amination of Alcohols Catalyzed by Aluminum Triflate: An Experimental and Computational Study | |
Dual redox mediators accelerate the electrochemical kinetics of lithium-sulfur batteries | |
Dynamics of alkylidenes complexes supported on amorphous silica.. | |
Effect of Frustrated Rotations on the Pre-Exponential Factor for Unimolecular Reactions on Surfaces: A Case Study of Alkoxy Dehydrogenation | |
Entropic Control of HD Exchange Rates over Dilute Pd-in-Au Alloy Nanoparticle Catalysts | |
Etapes élémentaires de réactions catalytiques sur les métaux du groupe 10 : étude quantique de la chimisorption et de la transformation de fragments organiques | |
Étude du comportement dynamique de systèmes catalytiques greffés sur silice. | |
Etude théorique de l'effet des propriétés acido-basiques de l'alumine-gamma sur la réactivité de nano-agrégats métalliques | |
Facilitating hydrogen atom migration via a dense phase on palladium islands to a surrounding silver surface | |
Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti–Cu Catalysts | |
A Force Field for Water over Pt(111): Development, Assessment and Comparison. | |
Guidelines to Achieving High Selectivity for the Hydrogenation of α,β-Unsaturated Aldehydes with Bimetallic and Dilute Alloy Catalysts: A Review | |
Inelastic Electron Tunneling Spectroscopy with the Scanning Tunneling Microscope : a combined theory-experiment approach | |
Insights into Copper Sulfide Formation from Cu and S K edge XAS and DFT studies | |
Interpretation d'images obtenues par microscopie à effet tunnel (STM) de petites molécules isolées, adsorbées sur une surface 111 de platine | |
A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers. | |
Mécanismes de déshydrogénation du méthyl-cyclohexane catalysée par des agrégats sub-nanométriques de platine supportés sur alumine gamma : études couplées DFT, cinétique expérimentale et modélisation cinétique. | |
Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity. | |
Model Approach of Structure, Reactivity and Spectroscopy of Organometallic Complexes Grafted on Gamma Alumina. | |
Modélisation de la réactivité de la protéase aspartique du VIH et de ses interactions avec des inhibiteurs de type amino-aldéhyde | |
Modélisation moléculaire ab initio du mécanisme de la désalumination et de la désilication des réseaux zéolitiques pertinents. | |
Modélisation théorique de l'adsorption et de la réactivité de la molécule NO sur les surfaces de catalyseurs à base de palladium, de rhodium et d'alliages palladium-manganèse | |
Oxidation of Methane to Methanol over Single Site Palladium Oxide Species on Silica: A Mechanistic view from DFT. | |
Phénomènes d'hydratation des aluminophosphates : étude couplée expérience - théorie | |
Porphyrine de cobalt dans surfaces métalliques - propriété d’adsorption et de template. | |
Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization | |
Quantum chemical study of the activity of transition metal surfaces for the heterogeneous transformation of aromatic molecules. | |
Quantum study of the electronic and chemisorption properties of RuS₂ as a hydrotreatment catalysis model. | |
Réactivité catalytique à haut recouvrement : une approche théorique | |
Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water | |
Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling | |
RECONSTRUCTIONS ET REACTIVITE CATALYTIQUE INDUITES PAR CONTRAINTE : UNE ETUDE QUANTIQUE DES DEPOTS DE PD SUR NI(110) | |
Relations d'énergie linéaires pour la transformation de la biomasse en catalyse hétérogène : Une méthode de prédiction rapide de la déshydrogénation des polyalcools sur les métaux de transition. | |
Rh single atoms on TiO2 dynamically respond to reaction conditions by adapting their site | |
Selective Alcohol Amination : theoretical Study for the Design of Innovative Heterogenerous Catalysts | |
Shining Light on Carbon Nitrides: Leveraging Temperature To Understand Optical Gap Variations | |
Simulation ab initio de nano-agrégats métalliques supportés | |
La Spectroscopie par Effet Tunnel Inélastique avec un Microscope à Effet Tunnel : une approche combinée de la théorie et de l'expérience. | |
Study of the stability and the reactivity of Pt and Pt3Ni model catalyst for PEM fuel cells : an ab-initio based multiscale modeling approach | |
THEORETICAL ANALYSIS OF STM IMAGES OF ISOLATED MOLECULAR ADSORBATES ON PLATINUM 111 SURFACE. | |
Theoretical and experimental study of defect sites on partially hydrated γ-alumina : stability, reactivity towards small molecules and implications for single-site catalysts | |
Theoretical aspects of the reactivity of isocyanides in organic chemistry. | |
A Theoretical Perspective on Hydrogenation and Oligomerization of Acetylene over Pd Based Catalysts | |
Theoretical study of MgO (100) surfaces: simulation of AFM images and oxygen vacancies. | |
Theoretical study of the control of the electronic transmission along a conducting chain by insertion of an active impurity. | |
Theoretical study of the effect of acid-basic properties of γ-alumina on the reactivity of metalic nano-clusters. | |
Theory and experiments join forces to characterize the electrocatalytic interface | |
Toward Fast and Reliable Potential Energy Surfaces for Metallic Pt Clusters by Hierarchical Delta Neural Networks | |
Unraveling 1-Hexene Hydrogenation over Dilute Pd-in-Au Alloys | |
Water on Oxide Surfaces: A Triaqua Surface Coordination Complex on Co3O4(111) |