Theoretical Calculation into the Structures and MD Simulation of CL‐20/DNDA5 Cocrystal
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DOI: 10.1002/crat.202100107
Abstract: For studying the cocrystal cell structure and molecular dynamics (MD) simulation of CL‐20/DNDA5 (2,4‐dinitro‐2,4‐dinitropentane), cocrystal construction is predicted on ten kinds of space group of crystal cell. MD simulations are performed at the temperatures of… read more here.
Keywords: dnda5; calculation structures; structures simulation; simulation dnda5 ... See more keywords