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11. Simple model of liquid water dynamics Tomaž Urbič, Ken A. Dill, 2023, original scientific article Keywords: diffusion, molecules, noncovalent interactions, peptides, proteins, transport properties |
12. 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 |