Lista de obras -

Anticorrelation between surface and subsurface point defects and the impact on the redox chemistry of TiO2(110)

artículo científico publicado en 2014

Atomic Origins of the Self-Healing Function in Cement-Polymer Composites.

artículo científico publicado en 2017

Correction to Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments

artículo científico publicado en 2020

Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review

scientific article published on 17 September 2020

Electrochemically Tunable Proton-Coupled Electron Transfer in Pd-Catalyzed Benzaldehyde Hydrogenation

artículo científico publicado en 2019

Formation of Supported Graphene Oxide: Evidence for Enolate Species.

artículo científico publicado en 2018

Genesis and Stability of Hydronium Ions in Zeolite Channels

artículo científico publicado en 2019

Mesoscopic Structure Facilitates Rapid CO Transport and Reactivity in CO Capture Solvents

artículo científico publicado en 2018

Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation

scientific article published on 29 March 2019

Molecular Simulation of the Catalytic Regeneration of nBuLi through a Hydrometalation Route

scientific article published on 06 February 2019

Norm-Conserving Pseudopotentials and Basis Sets To Explore Lanthanide Chemistry in Complex Environments

scientific article published on 17 October 2019

Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments

artículo científico publicado en 2021

Polarization- and Azimuth-Resolved Infrared Spectroscopy of Water on TiO2(110): Anisotropy and the Hydrogen-Bonding Network

artículo científico publicado en 2012

Selective acetylene hydrogenation over single metal atoms supported on Fe3O4(001): A first-principle study