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- Conference Paper
- C3
- open access
First principles based microkinetic modeling of methyl butanoate pyrolysis
(2017) -
- Conference Paper
- C3
- open access
First Principles Based Microkinetic Modelling of Methyl Butanoate Pyrolysis
(2016) -
Group additive kinetic modeling for carbon-centered radical addition to oxygenates and β-Scission of oxygenates
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- PhD Thesis
- open access
Sustainable conversion of biomass oxygenates : ab initio based model simulation
(2015) -
Group additive kinetics for hydrogen transfer between oxygenates
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Kinetic modeling of a-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms
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Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by carbon-centered radicals
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Group additivity for the thermochemistry and H-abstraction kinetics of oxygenates
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Group additive values for the gas phase standard enthalpy of formation, entropy and heat capacity of oxygenates
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- Conference Paper
- C3
- open access
Steam cracking of renewable feedstock: ab initio based modeling of thermochemistry