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Development and application of a ReaxFF reactive force field for molecular dynamics of perfluorinatedketones thermal decomposition

Materials ScienceMolecular KineticsMolecular DynamicsEngineeringMolecular MaterialPhysical ChemistryThermophysical PropertyComputational ChemistryChemistryPerfluorinatedketones Thermal DecompositionChemical KineticsBiophysics