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- Journal Article
- A1
- open access
Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors
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Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions
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Ab initio based kinetic modeling for the simulation of industrial chemical processes: steam cracking of ethane/propane/butane mixtures
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Hydrogen abstraction from hydrocarbons: modeling of activation energies and pre-exponential factors
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- Conference Paper
- C1
- open access
Resonance stabilization during the group additive modeling of the kinetics of hydrogen abstraction from hydrocarbons
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First principles based simulations of steam cracking of ethane/propane and ethane/butane mixtures
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Ab initio based kinetic modeling for the simulation of industrial chemical processes
(2009) -
First principles based simulations of of steam cracking of light hydrocarbons
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Ab initio modelling of steam cracking
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First Principles Based Group Additive Values for the Gas Phase Standard Entropy and Heat Capacity of Hydrocarbons and Hydrocarbon Radicals