Anton Kokalj
0000-0001-7237-0041
76 papers found
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DFT Study of Azole Corrosion Inhibitors on Cu2O Model of Oxidized Copper Surfaces: II. Lateral Interactions and Thermodynamic Stability
DFT Study of Azole Corrosion Inhibitors on Cu2O Model of Oxidized Copper Surfaces: I. Molecule–Surface and Cl–Surface Bonding
Origin of Surprising Attractive Interactions between Electronegative Oxygen Adatoms on Aluminum Surfaces
Effect of Mercapto and Methyl Groups on the Efficiency of Imidazole and Benzimidazole-based Inhibitors of Iron Corrosion
Atomically Resolved Dealloying of Structurally Ordered Pt Nanoalloy as an Oxygen Reduction Reaction Electrocatalyst
The roles of mercapto, benzene, and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor–copper bonding
The roles of mercapto, benzene and methyl groups in the corrosion inhibition of imidazoles on copper: I. Experimental characterization
Density Functional Theory Study of Adsorption of Benzotriazole on Cu2O Surfaces
Ab initio modeling of the bonding of benzotriazole corrosion inhibitor to reduced and oxidized copper surfaces
Corrosion control: general discussion
A DFT study of adsorption of imidazole, triazole, and tetrazole on oxidized copper surfaces: Cu 2 O(111) and Cu 2 O(111)-w/o-Cu CUS
Corrosion scales and passive films: general discussion
Molecular Modeling of Organic Corrosion Inhibitors: Why Bare Metal Cations are Not Appropriate Models of Oxidized Metal Surfaces and Solvated Metal Cations
Comment on the A.B. Rocha’s reply to second comment on the paper “On the nature of inhibition performance of imidazole on iron surface”
The Effect of Surface Geometry of Copper on Dehydrogenation of Benzotriazole. Part II
The Effect of Surface Geometry of Copper on Adsorption of Benzotriazole and Cl. Part I
Comments on the “Reply to comments on the paper ‘On the nature of inhibition performance of imidazole on iron surface’” by J.O. Mendes and A.B. Rocha
Formation and structure of inhibitive molecular film of imidazole on iron surface
Comments on the paper “On the nature of inhibition performance of imidazole on iron surface” by J.O. Mendes, E.C. da Silva, A.B. Rocha
An Experimental Approach to Transition States of Surface Reactions; Energy Partitioning in Repulsive Desorption
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