Fuel · 2024 · 11 citations · 44 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryPhysical ChemistryPolymer ChemistryChemical Kinetics ModelingMolecular DynamicsMolecular SimulationPolymer PhysicsPolymer SimulationSolidification KineticsGasificationGasification Of PlasticsMolecular Dynamics Of PolymersReactive Molecular DynamicsSolidification PathwaysSupercritical Carbon Dioxide Processing
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From molecules to solids with the DMol3 approach
B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text
Natural Sciences, Chemistry, Physics +12
ReaxFF: A Reactive Force Field for Hydrocarbons
Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.3K citations
Natural Sciences, Chemistry, Physics +17
Degradation Rates of Plastics in the Environment
Ali Chamas, Hyunjin Moon, Jiajia Zheng et al. · ACS Sustainable Chemistry & Engineering · 2020 · 3.3K citations · Full text
Engineering, Environmental Engineering, Environmental Sciences +17