Browsing by Author "Wiik, Kristine"
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Molecular properties of energetic materials and the use of quantumchemical methods for their determination
Wiik, Kristine (2022-11-11)Energetic materials find countless applications of relevance to the defence sector, as typical classes of energetic materials are propellants, explosives and fuels. To ensure safe handling of such materials, obtaining ... -
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 (2022-04-26)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 ...