Are HOMO–LUMO gaps reliable indicators of explosive impact sensitivity?
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DOI: 10.1007/s00894-021-04956-1
Abstract: A high priority in designing and evaluating proposed explosives is to minimize sensitivity, i.e., vulnerability to unintended detonation due to an accidental stimulus, such as impact. In order to establish a capability for predicting impact… read more here.
Keywords: sensitivity; homo lumo; impact sensitivity; lumo gaps ... See more keywords