Triethylene diamine (DABCO) can interact with H2O and CO2 in air to form dimeric and trimeric complexes via hydrogen bond, tetrel bond as well as van der Waals interactions.
First principles investigations and Hirshfeld surface analysis of 1,3,5-triamino 2,4,6-trinitrobenzene (TATB) crystal have been carried out. The geometrical and electronic structures of TATB molecules in the crystal and gas phase...
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