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Genesys: kinetic model construction using chemo-informatics
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First principle-based simulation of ethane steam cracking
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Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase
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Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions
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Kinetic correlations for H2 addition and elimination reaction mechanisms during silicon hydride pyrolysis
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Kinetics of substituted silylene addition and elimination in silicon nanocluster growth captured by group additivity
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Exploring 1,2-hydrogen shift in silicon nanoparticles: reaction kinetics from quantum chemical calculations and derivation of Transition State Group Additivity (TSGA) database
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Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks