Browsing Institutt for kjemi by Author "Åstrand, Olof"
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Mechanistic Study of Chemical Reactions Using Path Sampling
Moqadam, Mahmoud (Doctoral theses at NTNU;2016:363, Doctoral thesis, 2016)Molecular simulations are the ideal tool to obtain detailed information at the molecular scale which is often invisible to experiments. However, we are still far from a situation in which industries and pharmaceutical ...