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Lista de obras de Matti Hellström

An SCC-DFTB Repulsive Potential for Various ZnO Polymorphs and the ZnO-Water System

artículo científico publicado en 2013

Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case Study

artículo científico publicado en 2013

Concentration-Dependent Proton Transfer Mechanisms in Aqueous NaOH Solutions: From Acceptor-Driven to Donor-Driven and Back.

artículo científico publicado en 2016

Enhanced wetting of Cu on ZnO by migration of subsurface oxygen vacancies.

artículo científico publicado en 2015

Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(101¯0) interface from a high-dimensional neural network potential

article

New Insights into the Catalytic Activity of Cobalt Orthophosphate Co3 (PO4 )2 from Charge Density Analysis

scientific article published on 08 November 2019

Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

artículo científico publicado en 2018

One-dimensional two-dimensional proton transport processes at solid-liquid zinc-oxide-water interfaces

scientific article published on 05 November 2018

PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

artículo científico publicado en 2020

Proton-Transfer Mechanisms at the Water-ZnO Interface: The Role of Presolvation.

artículo científico publicado en 2017

Proton-Transfer-Driven Water Exchange Mechanism in the Na+ Solvation Shell

artículo científico publicado en 2017

Structure of aqueous NaOH solutions: insights from neural-network-based molecular dynamics simulations.

artículo científico publicado en 2016

Surface phase diagram prediction from a minimal number of DFT calculations: redox-active adsorbates on zinc oxide

artículo científico publicado en 2017

Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

scientific article published on 02 January 2020

Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10(1)0)

artículo científico publicado en 2015

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