1. Gas phase kinetics in combustion and atmosphere

1.1. Auto-ignition chemistry of hydrocarbon and oxygen/nitrogen containing hydrocarbons -- from electronic structure to ignition behavior.

Major reaction pathways for tcy-C6H10(∗)CH3 + O2  at the QCISD(T)/CBS//B3LYP/6-311 ++ G(d,p) level.

Comparison between our best prediction and previously reported rate constants for phenyl + O2 recombination.

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Recombination of aromatic radicals with molecular oxygen.
DOI: 10.1016/j.proci.2016.06.021

Theoretical kinetic studies for low temperature oxidation of two typical methylcyclohexyl radicals.
DOI: 10.1016/j.combustflame.2017.03.025

1.2. Crucial conjugated intermediates and their contribution to the formation of aromatic compounds.

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Initiation mechanism of 1,3-butadiene combustion and its effect on soot precursors.
DOI: 10.1016/j.combustflame.2017.06.003

Pressure-dependent kinetics on the C4H7 potential energy surface and its effect on combustion model predictions.
DOI: 10.1016/j.combustflame.2017.01.031

1.3. OH-initiated low-temperature oxidation of VOCs in atmosphere -- similarity and difference between combustion chemistry and atmospheric chemistry.
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Pressure-Dependent Kinetics of the Reaction between CH3OO and OH Focusing on the Product Yield of Methyltrioxide (CH3OOOH)
DOI:pubs.acs.org/doi/10.1021/acs.jpclett.9b00781

2. Plasma chemistry

Chemical kinetics involved in plasma assisted combustion – reactions of electronical or and vibrational excited states.

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Revisiting the chemical kinetics of CH3 + O2 and its impact on methane ignition.
DOI: 10.1016/j.combustflame.2018.11.014

3. Uncertainty quantification of rate constants

Uncertainty analysis of RRKM/Master Equation rate coefficients.

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Global uncertainty analysis for RRKM/master equation based kinetic predictions: A case study of ethanol decomposition.
DOI: 10.1016/j.combustflame.2015.06.006

Global uncertainty analysis for the RRKM/master equation modeling of a typical multi-well & multi-channel reaction system.
DOI: 10.1016/j.combustflame.2020.01.039

4. Theoretical study of photoionization

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Quantification of the resonance stabilized C4H5 isomers and their reaction with acetylene.
DOI: 10.1016/j.combustflame.2018.09.024

Calculation of the Absolute Photoionization Cross-Sections for C1-C4 Criegee Intermediates and Vinyl Hydroperoxides.
DOI:doi.org/10.1063/1.5088408