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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|July 7, 2020
Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictorsFabian Morteo-Flores, Julien Engel, Alberto RoldanChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 8, 2021
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT StudyFabian Morteo-Flores, Alberto RoldanPhysical Chemistry Chemical Physics : PCCP|August 30, 2019
The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT studyJulien Engel, Samantha Francis, Alberto RoldanPhysical Chemistry Chemical Physics : PCCP|January 18, 2019
A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe3S4{111} surfaceAlberto Roldan, Nora H de LeeuwPhysical Chemistry Chemical Physics : PCCP|April 27, 2017
A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surfaceAlberto Roldan, Nora H de LeeuwPhysical Chemistry Chemical Physics : PCCP|December 21, 2022
Toward a new definition of surface energy for late transition metalsAlexandre Boucher, Glenn Jones, Alberto RoldanFaraday Discussions|February 10, 2017
Selective hydrogenation of CO on Fe3S4{111}: a computational studyAlberto Roldan, Nora H de LeeuwChemical Communications (Cambridge, England)|June 17, 2016
Highlights from Faraday Discussion: Designing New Heterogeneous Catalysts, London, UK, April 2016Nico Fischer, Haresh G Manyar, Alberto RoldanPhytokeys|October 5, 2016
GuiaTreeKey, a multi-access electronic key to identify tree genera in French GuianaJulien Engel, Louise Brousseau, Christopher BaralotoJournal of Chemical Theory and Computation|February 25, 2025
Machine Learning Force Field for Optimization of Isolated and Supported Transition Metal ParticlesAlexandre Boucher, Cameron Beevers, Bertrand Gauthier, et al.Pageof 9