Di‐ and trioxides of triazolotetrazine: Computational prediction of crystal structures and estimation of physicochemical characteristics
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DOI: 10.1002/jcc.26833
Abstract: Simulation of crystal structures of series 1(2)‐R‐1(2)H‐[1,2,3]triazolo[4,5‐e][1,2,3,4]tetrazine 5,7‐dioxides, 1,5,7‐trioxides, 4,6‐dioxides and 3,4,6‐trioxides was carried out using an original technique based on the method of atom‐atom potentials and quantum chemistry. The effect of the position of… read more here.
Keywords: chemistry; crystal structures; trioxides triazolotetrazine; triazolotetrazine computational ... See more keywords