Publications associées à Molécularité

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

The spatially resolved identification of active sites on the heterogeneous catalyst surface is an essential step toward directly visualizing a catalytic reaction with atomic scale. To date, ferrous centers on platinum group metals have shown promising pote ...

Washington2024

A thorough investigation of photo-catalytic degradation of ortho and para-nitro phenols in binary mixtures: new insights into evaluating degradation progress using chemometrics approaches

Sayyed Hashem Sajjadi

In this study, photocatalytic degradation of 2-nitrophenol and 4-nitrophenol were carried out efficiently using ZnO nanoparticles photo-catalyst under simulated solar irradiation. The photo-decomposition processes were optimized simultaneously by employing ...

ROYAL SOC CHEMISTRY2021

Atomistic dynamics of elimination and nucleophilic substitution disentangled for the F- + CH3CH2Cl reaction

Eduardo Carrascosa Casado

Chemical reaction dynamics are studied to monitor and understand the concerted motion of several atoms while they rearrange from reactants to products. When the number of atoms involved increases, the number of pathways, transition states and product chann ...

NATURE PORTFOLIO2021

Impact of alloy disorder on Auger recombination in single InGaN/GaN core-shell microrods

Benoît Marie Joseph Deveaud, Gwénolé Jean Jacopin, Wei Liu, Georg Rossbach, Christian Mounir

We study the influence of local inhomogeneities on carrier recombination dynamics in single InGaN/GaN core-shell microrods (MRs) by means of time-resolved microphotoluminescence (TRPL) at 10 K. At low carrier density (similar to 10(11) cm(-2)), the carrier ...

2019

Control Theory Concepts for Modeling Uncertainty in Enzyme Kinetics of Biochemical Networks

Vassily Hatzimanikatis, Ljubisa Miskovic, Georgios Savoglidis, Milenko Tokic

Analysis of the dynamic and steady-state properties of biochemical networks hinges on information about the parameters of enzyme kinetics. The lack of experimental data characterizing enzyme activities and kinetics along with the associated uncertainties i ...

2019

Unexpected Indirect Dynamics in Base-Induced Elimination

Eduardo Carrascosa Casado

Base-induced elimination (E2) and bimolecular nucleophilic substitution (S(N)2) are two of the most versatile reactions that are important in preparative organic chemistry. These stereospecific reactions are often found in direct competition with each othe ...

AMER CHEMICAL SOC2019

Catalytic synthesis of polyoxymethylene dimethyl ethers (OME): A review

Oliver Kröcher, Alimohammad Bahmanpour, Christophe Jean Baranowski

Polyoxymethylene dimethyl ethers (OME) containing 3-5 CH2O units (OME3-5) are appealing oxygenated fuels, which can be used in diesel engines with only slight fuel system modifications. Their combustion leads to reduced hazardous exhaust gas emissions comp ...

Elsevier2017

Combinatorial Characterization of TiO2 Chemical Vapor Deposition Utilizing Titanium Isopropoxide

Patrik Willi Hoffmann, Yury Kuzminykh, Michael Oliver Reinke, Evgeniy Ponomarev

The combinatorial characterization of the growth kinetics in chemical vapor deposition processes is challenging because precise information about the local precursor flow is usually difficult to access. In consequence, combinatorial chemical vapor depositi ...

ACS Publications2015

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Molécularité

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

A thorough investigation of photo-catalytic degradation of ortho and para-nitro phenols in binary mixtures: new insights into evaluating degradation progress using chemometrics approaches

Atomistic dynamics of elimination and nucleophilic substitution disentangled for the F- + CH3CH2Cl reaction

Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation

Impact of alloy disorder on Auger recombination in single InGaN/GaN core-shell microrods

Control Theory Concepts for Modeling Uncertainty in Enzyme Kinetics of Biochemical Networks

Unexpected Indirect Dynamics in Base-Induced Elimination

Catalytic synthesis of polyoxymethylene dimethyl ethers (OME): A review

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

Combinatorial Characterization of TiO2 Chemical Vapor Deposition Utilizing Titanium Isopropoxide

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Chattez avec Graph Search

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

Atomistic dynamics of elimination and nucleophilic substitution disentangled for the F- + CH3CH2Cl reaction

Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation

Control Theory Concepts for Modeling Uncertainty in Enzyme Kinetics of Biochemical Networks

Geometric Integrators for Nonadiabatic Molecular Quantum Dynamics Induced by the Interaction with the Electromagnetic Field

Impact of alloy disorder on Auger recombination in single InGaN/GaN core-shell microrods

Catalytic synthesis of polyoxymethylene dimethyl ethers (OME): A review

Unexpected Indirect Dynamics in Base-Induced Elimination

Combinatorial Characterization of TiO2 Chemical Vapor Deposition Utilizing Titanium Isopropoxide