| Photocatalytic CO2 Reduction: A Review of Ab Initio Mechanism, Kinetics, and Multiscale Modeling Simulations Z Kovacic, B Likozar, M Hus ACS catalysis 10 (24), 14984-15007, 2020 | 303 | 2020 |
| Hydrogenation and hydrodeoxygenation of aromatic lignin monomers over Cu/C, Ni/C, Pd/C, Pt/C, Rh/C and Ru/C catalysts: Mechanisms, reaction micro-kinetic modelling and … A Bjelić, M Grilc, M Huš, B Likozar Chemical Engineering Journal 359, 305-320, 2019 | 199 | 2019 |
| Mechanism, kinetics and thermodynamics of carbon dioxide hydrogenation to methanol on Cu/ZnAl2O4 spinel-type heterogeneous catalysts M Huš, VDBC Dasireddy, NS Štefančič, B Likozar Applied Catalysis B: Environmental 207, 267-278, 2017 | 135 | 2017 |
| Unravelling the mechanisms of CO 2 hydrogenation to methanol on Cu-based catalysts using first-principles multiscale modelling and experiments M Huš, D Kopač, NS Štefančič, DL Jurković, VDBC Dasireddy, B Likozar Catalysis Science & Technology 7 (24), 5900-5913, 2017 | 113 | 2017 |
| Propylene Epoxidation using Molecular Oxygen over Copper-and Silver-Based Catalysts: A Review J Teržan, M Huš, B Likozar, P Djinović ACS catalysis 10 (22), 13415-13436, 2020 | 107 | 2020 |
| Strength of hydrogen bonds of water depends on local environment M Huš, T Urbic The Journal of Chemical Physics 136 (14), 2012 | 101 | 2012 |
| Multiscale modeling of (hemi) cellulose hydrolysis and cascade hydrotreatment of 5-hydroxymethylfurfural, furfural, and levulinic acid R Šivec, M Grilc, M Huš, B Likozar Industrial & Engineering Chemistry Research 58 (35), 16018-16032, 2019 | 95 | 2019 |
| Photocatalytic, electrocatalytic and photoelectrocatalytic degradation of pharmaceuticals in aqueous media: Analytical methods, mechanisms, simulations, catalysts and reactors BA Marinho, L Suhadolnik, B Likozar, M Huš, Ž Marinko, M Čeh Journal of Cleaner Production 343, 131061, 2022 | 90 | 2022 |
| Furfural hydrogenation over Cu, Ni, Pd, Pt, Re, Rh and Ru catalysts: Ab initio modelling of adsorption, desorption and reaction micro-kinetics R Šivec, M Huš, B Likozar, M Grilc Chemical Engineering Journal 436, 135070, 2022 | 77 | 2022 |
| Kinetics of non-oxidative propane dehydrogenation on Cr2O3 and the nature of catalyst deactivation from first-principles simulations M Huš, D Kopač, B Likozar Journal of Catalysis 386, 126-138, 2020 | 74 | 2020 |
| Multiscale modelling of CO2 reduction to methanol over industrial Cu/ZnO/Al2O3 heterogeneous catalyst: Linking ab initio surface reaction kinetics with reactor fluid dynamics A Pavlišič, M Huš, A Prašnikar, B Likozar Journal of Cleaner Production 275, 122958, 2020 | 69 | 2020 |
| Acid-catalysed α-O-4 aryl-ether bond cleavage in methanol/(aqueous) ethanol: Understanding depolymerisation of a lignin model compound during organosolv pretreatment E Jasiukaitytė-Grojzdek, M Huš, M Grilc, B Likozar Scientific Reports 10 (1), 11037, 2020 | 65 | 2020 |
| Catalytic Hydrogenation of Carbon Dioxide to Methanol: Synergistic Effect of Bifunctional Cu/Perovskite Catalysts M Huš, D Kopač, B Likozar ACS Catalysis 9 (1), 105-116, 2018 | 65 | 2018 |
| How Size Matters: Electronic, Cooperative, and Geometric Effect in Perovskite-Supported Copper Catalysts for CO2 Reduction D Kopač, B Likozar, M Huš ACS catalysis 10 (7), 4092-4102, 2020 | 63 | 2020 |
| Chitin Deacetylation Using Deep Eutectic Solvents: Ab Initio-Supported Process Optimization FA Vicente, M Huš, B Likozar, U Novak ACS sustainable chemistry & engineering 9 (10), 3874-3886, 2021 | 62 | 2021 |
| Quantum chemical calculations resolved identification of methylnitrocatechols in atmospheric aerosols S Frka, M Šala, A Kroflič, M Huš, A Čusak, I Grgić Environmental science & technology 50 (11), 5526-5535, 2016 | 60 | 2016 |
| Catalysis of material surface defects: Multiscale modeling of methanol synthesis by CO2 reduction on copper D Kopač, B Likozar, M Huš Applied Surface Science 497, 143783, 2019 | 59 | 2019 |
| Effect of alkaline earth metal oxide (MO) Cu/MO/Al2O3 catalysts on methanol synthesis activity and selectivity via CO2 reduction VDBC Dasireddy, NS Štefančič, M Huš, B Likozar Fuel 233, 103-112, 2018 | 57 | 2018 |
| Ethylene Epoxidation on Ag (100), Ag (110), and Ag (111): A Joint Ab Initio and Kinetic Monte Carlo Study and Comparison with Experiments M Huš, A Hellman ACS Catalysis 9 (2), 1183-1196, 2018 | 56 | 2018 |
| First-principles mechanistic study of ring hydrogenation and deoxygenation reactions of eugenol over Ru (0001) catalysts M Huš, A Bjelić, M Grilc, B Likozar Journal of Catalysis 358, 8-18, 2018 | 53 | 2018 |
Blaž LikozarDepartment of Catalysis and Chemical Reaction Engineering, National Institute of ChemistryVerified email at ki.si