Browsing Rapporter by Author "Kjønstad, Eirik Fadum"
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Quantum chemical methods for high-energy materials - estimating formation enthalpies, crystal densities and impact sensitivities
Kjønstad, Eirik Fadum (2014-12-15)A preliminary investigation of quantum chemical methods for the calculation of formation enthalpies, crystal densities, and impact sensitivities is presented. In particular, all calculations presented are density functional ...