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Physical Chemistry Chemical Physics : PCCP|June 6, 2014
Structure and optical properties of (CdSxSe(1-x))42 nanoclustersBaochang Wang, Natalia V SkorodumovaPhysical Chemistry Chemical Physics : PCCP|December 1, 2015
Structural, electronic, magnetic and chemical properties of B-, C- and N-doped MgO(001) surfacesIgor A Pašti, Natalia V SkorodumovaPhysical Review Letters|March 5, 2009
Determination of the structural parameters of an incommensurate phase from first principles: the case of Sc-IISergiu Arapan, Natalia V Skorodumova, Rajeev AhujaThe Journal of Chemical Physics|January 21, 2012
Influence of the cluster dimensionality on the binding behavior of CO and O2 on Au13Martin Amft, Börje Johansson, Natalia V SkorodumovaPhysical Chemistry Chemical Physics : PCCP|February 14, 2018
Tunable reactivity of supported single metal atoms by impurity engineering of the MgO(001) supportIgor A Pašti, Börje Johansson, Natalia V SkorodumovaJournal of Physics. Condensed Matter : an Institute of Physics Journal|May 5, 2011
Small gold clusters on graphene, their mobility and clustering: a DFT studyMartin Amft, Biplab Sanyal, Olle Eriksson, et al.Physical Chemistry Chemical Physics : PCCP|September 27, 2017
Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo studyPjotrs A Žguns, Andrei V Ruban, Natalia V SkorodumovaJournal of Physics. Condensed Matter : an Institute of Physics Journal|September 6, 2011
Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactionsMartin Amft, Sébastien Lebègue, Olle Eriksson, et al.Physical Chemistry Chemical Physics : PCCP|March 26, 2026
A DFT study of B-doped graphene as a metal anchor: effects of oxidation and strainNikola S Veličković, Natalia V Skorodumova, Ana S DobrotaPhysical Chemistry Chemical Physics : PCCP|April 17, 2018
Phase diagram and oxygen-vacancy ordering in the CeO<sub>2</sub>-Gd<sub>2</sub>O<sub>3</sub> system: a theoretical studyPjotrs A Žguns, Andrei V Ruban, Natalia V SkorodumovaPageof 4