Anton Kokalj
Corrosion inhibitors: physisorbed or chemisorbed?
Corros. Sci. 196, 109939 (2022)
Anton Kokalj, Dominique Costa
Model study of penetration of Cl− ions from solution into organic self-assembled-monolayer on metal substrate: Trends and modeling aspects
J. Electrochem. Soc. 168, 071508 (2021)
M. Poberžnik, F. Chiter, I. Milošev, P. Marcus, D. Costa, Anton Kokalj
DFT study of n-alkyl carboxylic acids on oxidized aluminum surfaces: From standalone molecules to self-assembled-monolayers
Appl. Surf. Sci. 525, 146156 (2020)
J.J. Corral-Pérez, A. Bansode, C.S. Praveen, Anton Kokalj, H. Reymond, A. Comas-Vives, J. VandeVondele, C. Copéret, P.R. von Rohr, A. Urakawa
Decisive role of perimeter sites in silica-supported Ag nanoparticles in selective hydrogenation of CO2 to methyl formate in the presence of methanol
J. Am. Chem. Soc. 140, 13884 (2018)
M. Poberžnik, Anton Kokalj
Origin of surprising attractive interactions between electronegative oxygen adatoms on aluminum surfaces
J. Phys. Chem. C 120, 25915 (2016)
Anton Kokalj
Ab initio modeling of the bonding of benzotriazole corrosion inhibitor to reduced and oxidized copper surfaces
Faraday Discuss. 180, 415 (2015)
Nataša Kovačević, Anton Kokalj
The relation between adsorption bonding and corrosion inhibition of azole molecules on copper
Corros. Sci. 73, 7 (2013)
Anton Kokalj, S. Peljhan, M. Finšgar, I. Milošev
What determines the inhibition effectiveness of ATA, BTAH, and BTAOH corrosion inhibitors on copper?
J. Am. Chem. Soc. 132, 16657 (2010)
Anton Kokalj, P. Gava, S. de Gironcoli, S. Baroni
What determines the catalyst's selectivity in the ethylene epoxidation reaction
J. Catal. 254, 304 (2008)
Anton Kokalj, R. Dominko, G. Mali, A. Meden, M. Gaberšček, J. Jamnik
Beyond one-electron reaction in Li cathode materials: designing Li2Mn(x)Fe(1−x)SiO4
Chem. Mater. 19, 3633 (2007)
Anton Kokalj, N. Bonini, S. de Gironcoli, C. Sbraccia, G. Fratesi, S. Baroni
Methane dehydrogenation on Rh@Cu(111): a first-principles study of a model catalyst
J. Am. Chem. Soc. 128, 12448 (2006)
Anton Kokalj, N. Bonini, C. Sbraccia, S. de Gironcoli, S. Baroni
Engineering the reactivity of metal catalysts: a model study of methane dehydrogenation on Rh(111)
J. Am. Chem. Soc. 126, 16732 (2004)
Anton Kokalj
XCrySDen – a new program for displaying crystalline structures and electron densities
J. Mol. Graph. Model. 17, 176 (1999)
