11. Hydrogen-bonding ability of Noyori–Ikariya catalysts enables stereoselective access to CF$_3$-substituted syn-1,2-diols via dynamic kinetic resolutionMaša Sterle, Matej Huš, Matic Lozinšek, Anamarija Zega, Andrej Emanuel Cotman, 2023, other scientific articles Keywords: asymmetric catalysis, DFT, drug design, fluorine, hydrogenation, kinetic resolution, ruthenium, catalysts, ketones, noncovalent interactions, redox reactions, stereoselectivity Full text (file, 2,30 MB) This document has more files! More... |
12. Catalytic photoredox C–H arylation of 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-diazonium tetrafluoroborates and related heteroaryl diazonium saltsKris Antolinc, Helena Brodnik Žugelj, Uroš Grošelj, Bogdan Štefane, Nejc Petek, Jurij Svete, 2023, original scientific article Keywords: quinolizines, pyrido[1, 2-a]pyrimidines, thiazolo[3, 2-a]pyrimidines, photoredox catalysis, arylation, cross-coupling, chemical reactions, mixtures, molecular structure, salts Full text (file, 1,93 MB) This document has more files! More... |
13. Synthesis of six-membered N-heterocyclic carbene precursors based on camphorJan Šegina, Luka Ciber, Helena Brodnik Žugelj, Franc Požgan, Jurij Svete, Bogdan Štefane, Uroš Grošelj, 2023, original scientific article Keywords: ketopinic acid, amidation, reduction, diamines, N-heterocyclic carbene precursors, asymmetric catalysis, amidinium salts, hydrolysis Full text (file, 2,13 MB) This document has more files! More... |
14. Liquid organic hydrogen carrier hydrogenation–dehydrogenationEmilija Rakić, Miha Grilc, Blaž Likozar, 2023, review article Keywords: liquid organic hydrogen carrier molecules, LOHC, multiscale modelling chemical reaction kinetics, density functional theory, DFT, computational fluid dynamics, CFD, machine learning, ML, catalysis, H$_2$ storage Full text (file, 11,73 MB) This document has more files! More... |
15. Mechanistically guided development of homogenous nickel catalysis through rapid computational catalyst screeningDominik Jankovič, Mateja Mihelač, Žan Testen, Blaž Likozar, Matej Huš, Martin Gazvoda, 2024, original scientific article Keywords: reaction development, nickel catalysis, catalyst screening, mechanism, DFT, aryl chlorides, vinylarenes, triphenylphosphine Full text (file, 2,65 MB) This document has more files! More... |
16. Carbonyl-supported coordination in imidazolatesAljaž Škrjanc, Dominik Jankovič, Anton Meden, Matjaž Mazaj, Erik Svensson Grape, Martin Gazvoda, Nataša Zabukovec Logar, 2024, original scientific article Keywords: heterogeneous catalysis, nickel catalysis, Suzuki–Miyaura cross coupling, zeolitic imidazolate frameworks Full text (file, 1,50 MB) This document has more files! More... |