Morphology prediction of 5,5′-bistetrazole-1,1′-diolate (BTO) crystal in solvents with different models using molecular dynamics simulation
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DOI: 10.1016/j.jcrysgro.2020.125843
Abstract: Abstract For explaining in detail the influence of solvents on the morphology of 5,5′-bistetrazole-1,1′-diolate (BTO) crystal, molecular dynamics (MD) methods were used to simulate solution-crystal interface interactions, modified attachment energy (AE) model and occupancy model… read more here.
Keywords: molecular dynamics; bto; morphology; diolate bto ... See more keywords