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1. Database independent automated structure elucidation of organic molecules based on IR, $^1$H NMR, $^{13}$C NMR, and MS data Matevž Pesek, Andraž Juvan, Jure Jakoš, Janez Košmrlj, Matija Marolt, Martin Gazvoda, 2021, original scientific article Keywords: algorithm, organic molecules, infrared spectroscopy, molecular structure, nuclear magnetic resonance spectroscopy, carbon, infrared light |
2. Liquid organic hydrogen carrier hydrogenation–dehydrogenation Emilija 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 |