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Lista de obras de Marko Melander

Advances and challenges for experiment and theory for multi-electron multi-proton transfer at electrified solid-liquid interfaces

scientific article published on 01 September 2020

CO dissociation on iron nanoparticles: size and geometry effects

artículo científico publicado en 2013

CO oxidation catalyzed by neutral and anionic Cu20 clusters: relationship between charge and activity

artículo científico publicado en 2015

Computational Screening of Doped Graphene Electrodes for Alkaline CO2 Reduction

artículo científico publicado en 2021

Correction to Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method

artículo científico publicado en 2018

Escaping scaling relationships for water dissociation at interfacial sites of zirconia-supported Rh and Pt clusters

scientific article published on 01 October 2019

First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on m-ZrO2

artículo científico publicado en 2020

Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials

artículo científico publicado en 2019

Oxidative dehydrogenation of ethanol on gold: Combination of kinetic experiments and computation approach to unravel the reaction mechanism

artículo científico publicado en 2021

Removing External Degrees of Freedom from Transition-State Search Methods using Quaternions

artículo científico publicado en 2015

Revealing Charge-Transfer Dynamics at Electrified Sulfur Cathodes Using Constrained Density Functional Theory

scientific article published on 06 January 2021

Unraveling the Role of the Rh–ZrO2 Interface in the Water–Gas-Shift Reaction via a First-Principles Microkinetic Study

artículo científico publicado en 2018

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