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- Journal Article
- A1
- open access
Ab initio group additive values for thermodynamic carbenium ion property prediction
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- Journal Article
- A1
- open access
Beyond group additivity : transfer learning for molecular thermochemistry prediction
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Transfer learning for data-efficient and interpretable molecular property prediction
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Steam cracking of methyl ester : a modeling study on the influence of the hydrocarbon backbone
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Ab initio derived group additivity model for intramolecular hydrogen abstraction reactions
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Ab-Initio Derived Group Additivity Model for Intra-Molecular Hydrogen Abstraction Reactions
(2018) -
- 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) -
A comprehensive study of methyl decanoate pyrolysis
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- Conference Paper
- C1
- open access
Group additive modeling of biodiesel pyrolysis: methyldecanoate case study