Computer simulation of the crystal structure of tetrazino-tetrazine tetraoxide (TTTO) isomers with one and two independent molecules in the unit cell
Dmitry V. Khakimov, A. V. Dzyabchenko, T. S. Pivina
Topics & Concepts
TetrazineChemistryMoleculeCrystal (programming language)Crystal structureAtom (system on chip)Maxima and minimaComputational chemistryCrystallographyCrystal structure predictionOrganic chemistryComputer scienceEmbedded systemMathematicsProgramming languageMathematical analysisEnergetic Materials and CombustionSynthesis and Characterization of Heterocyclic CompoundsCrystallography and molecular interactions