* Anton Kokalj<<BR>>[[https://doi.org/10.1016/j.corsci.2021.109939|Corrosion inhibitors: physisorbed or chemisorbed?]]<<BR>>'''''Corros. Sci. 196, 109939 (2022) '''''<<BR>><<BR>>

    * Anton Kokalj, Dominique Costa<<BR>>[[https://doi.org/10.1149/1945-7111/ac0a24|Model study of penetration of Cl− ions from solution into organic self-assembled-monolayer on metal substrate: Trends and modeling aspects]] <<BR>> '''''J. Electrochem. Soc. 168, 071508 (2021)'''''<<BR>><<BR>>

    * M. Poberžnik, F. Chiter, I. Milošev, P. Marcus, D. Costa, Anton Kokalj<<BR>> [[https://doi.org/10.1016/j.apsusc.2020.146156|DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers]] <<BR>> '''''Appl. Surf. Sci. 525, 146156 (2020)'''''<<BR>><<BR>>

    * J.J. Corral-Pérez, A. Bansode, C.S. Praveen, Anton Kokalj, H. Reymond, A. Comas-Vives, J. Vande''''''Vondele, C. Copéret, P.R. von Rohr, A. Urakawa<<BR>>[[http://dx.doi.org/10.1021/jacs.8b08505|Decisive role of perimeter sites in silica-supported Ag nanoparticles in selective hydrogenation of CO2 to methyl formate in the presence of methanol]] <<BR>>'''''J. Am. Chem. Soc. 140, 13884 (2018)'''''<<BR>><<BR>>

    * M. Poberžnik, Anton Kokalj<<BR>>[[http://dx.doi.org/10.1021/acs.jpcc.6b08894|Origin of surprising attractive interactions between electronegative oxygen adatoms on aluminum surfaces ]] <<BR>>'''''J. Phys. Chem. C 120, 25915 (2016)'''''<<BR>><<BR>>

    * Anton Kokalj<<BR>>[[http://pubs.rsc.org/en/Content/ArticleLanding/2015/FD/C4FD00257A|Ab initio modeling of the bonding of benzotriazole corrosion inhibitor to reduced and oxidized copper surfaces]] <<BR>>''''' Faraday Discuss. 180, 415 (2015)''''' <<BR>><<BR>>

    * Nataša Kovačević, Anton Kokalj<<BR>>[[http://dx.doi.org/10.1016/j.corsci.2013.03.016|The relation between adsorption bonding and corrosion inhibition of azole molecules on copper]] <<BR>>'''''Corros. Sci. 73, 7 (2013)''''' <<BR>><<BR>>

    * Anton Kokalj, S. Peljhan, M. Finšgar, I. Milošev<<BR>>[[http://pubs.acs.org/doi/abs/10.1021/ja107704y|What determines the inhibition effectiveness of ATA, BTAH, and BTAOH corrosion inhibitors on copper?]] <<BR>>'''''J. Am. Chem. Soc. 132, 16657 (2010)'''''<<BR>><<BR>>

    * Anton Kokalj, P. Gava, S. de Gironcoli, S. Baroni<<BR>>[[https://doi.org/10.1016/j.jcat.2008.01.008|What determines the catalyst's selectivity in the ethylene epoxidation reaction]] <<BR>>'''''J. Catal. 254, 304 (2008)'''''<<BR>><<BR>>

    * Anton Kokalj, R. Dominko, G. Mali, A. Meden, M. Gaberšček, J. Jamnik<<BR>>[[http://pubs.acs.org/doi/abs/10.1021/cm063011l|Beyond one-electron reaction in Li cathode materials: designing Li2Mn(x)Fe(1−x)SiO4]] <<BR>>'''''Chem. Mater. 19, 3633 (2007)'''''<<BR>><<BR>>

    * Anton Kokalj, N. Bonini, S. de Gironcoli, C. Sbraccia, G. Fratesi, S. Baroni<<BR>>[[http://pubs.acs.org/doi/abs/10.1021/ja060114w|Methane dehydrogenation on Rh@Cu(111): a first-principles study of a model catalyst]] <<BR>>'''''J. Am. Chem. Soc. 128, 12448 (2006)'''''<<BR>><<BR>>

    * Anton Kokalj, N. Bonini, C. Sbraccia, S. de Gironcoli, S. Baroni<<BR>>[[http://pubs.acs.org/doi/abs/10.1021/ja045169h|Engineering the reactivity of metal catalysts: a model study of methane dehydrogenation on Rh(111)]] <<BR>>'''''J. Am. Chem. Soc. 126, 16732 (2004)'''''<<BR>><<BR>>

    * Anton Kokalj<<BR>>[[http://www.sciencedirect.com/science/article/pii/S1093326399000285|XCrySDen – a new program for displaying crystalline structures and electron densities]] <<BR>>'''''J. Mol. Graph. Model. 17, 176 (1999)'''''