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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

Correction to Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

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

NWPEsSe: An Adaptive-Learning Global Optimization Algorithm for Nanosized Cluster Systems

artículo científico publicado en 2020

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

Polymer-Cement Composites with Self-Healing Ability for Geothermal and Fossil Energy Applications

artículo científico publicado en 2017

Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study

scientific article published on 27 March 2020

Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up.

artículo científico publicado en 2016

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

artículo científico publicado en 2020

The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase

scientific article published on 29 January 2019

Trends in Homolytic Bond Dissociation Energies of Five- and Six-Coordinate Hydrides of Group 9 Transition Metals: Co, Rh, Ir.

artículo científico publicado en 2017

Understanding Adsorption of Organics on Pt(111) in the Aqueous Phase: Insights from DFT Based Implicit Solvent and Statistical Thermodynamics Models

artículo científico publicado en 2022

Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook.

artículo científico publicado en 2017

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