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    Prediction of the crystal packing of di‐tetrazine‐tetroxide (DTTO) energetic material 

    Mendoza Cortes, Jose L.; An, Qi; Goddard III, William A.; Ye, Caichao; Zybin, Sergey (John Wiley & Sons, Inc., 2016)
    Previous calculations suggested that di‐tetrazine‐tetroxide (DTTO), aka tetrazino‐tetrazine‐tetraoxide, might have a particularly large density (2.3 g/cm3) and high energy release (8.8 kJ/kg), but it has not yet been ...