Browsing NTNU Open by Author "Unneberg, Erik"
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Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives – A DFT Study
Wiik, Kristine (Master thesis, 2021)Til tross for at eksplosiver og andre energetiske materialer har blitt benyttet og studert i over hundre år, er forståelsen av deres følsomhet fremdeles svært begrenset. Gode modeller som forutsier følsomhet, kan gjøre ... -
Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study
Wiik, Kristine; Høyvik, Ida-Marie; Unneberg, Erik; Jensen, Tomas Lunde; Swang, Ole (Peer reviewed; Journal article, 2022)To handle energetic materials safely, it is important to have knowledge about their sensitivity. Density functional theory (DFT) has proven a valuable tool in the study of energetic materials, and in the current work, DFT ...