Lista de obras -

A Highly Active Molybdenum Phosphide Catalyst for Methanol Synthesis from CO and CO2

scientific article published on 18 October 2018

Anharmonic Correction to Adsorption Free Energy from DFT-Based MD Using Thermodynamic Integration

artículo científico publicado en 2021

Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Catalyst for Low-Temperature Ammonia Oxidation

artículo científico publicado en 2017

Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts.

artículo científico publicado en 2016

Fundamental Concepts in Heterogeneous Catalysis

How Accurately Do Approximate Density Functionals Predict Trends in Acidic Zeolite Catalysis?

artículo científico publicado en 2020

Identification of the Reaction Sequence of the MTO Initiation Mechanism Using Ab Initio-Based Kinetics

scientific article published on 28 March 2019

In silicosearch for novel methane steam reforming catalysts

Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling

artículo científico publicado en 2019

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides.

artículo científico publicado en 2011

On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study

artículo científico publicado en 2015

One-Pot Cooperation of Single-Atom Rh and Ru Solid Catalysts for a Selective Tandem Olefin Isomerization-Hydrosilylation Process

artículo científico publicado en 2020

Prospects of Heterogeneous Hydroformylation with Supported Single Atom Catalysts

scientific article published on 06 March 2020

Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes

artículo científico publicado en 2014

Rendering Photoreactivity to Ceria: The Role of Defects

artículo científico

Scaling Relationships for Binding Energies of Transition Metal Complexes