Gaussian-4 theory

• Ab Initio Investigation of Primary Fuel Reactions of Monoaromatic Hydrocarbons under Pyrolytic Conditions: Anisole, Phenetole, and the 2-, 3-, 4-Methylanisole Isomers

  2025 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies

  4

  citations
• Computational Investigation of the High-Temperature Chemistry of Small Hydroxy Ethers: Methoxymethanol, Ethoxymethanol, and 2-Methoxyethanol

  2024 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies

  3

  citations
• Comparative Study of n-C5 Bond Dissociation Energies and H-Atom Abstraction via H for Alkane, Alcohol, Methyl Ether, Nitroso, Nitro, Nitrite, and Nitrate

  2024 The Journal of Physical Chemistry A article Engineering Energetic Materials and Combustion

  1

  citations
• Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections

  2024 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies

  5

  citations
• Theoretical Investigation of Key Properties of the Pyrolysis of Methyl, Ethyl, and Dimethyl Dioxolane Isomers

  2022 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies

  7

  citations
• New insights into the oxidation chemistry of pyrrole, an N-containing biomass tar component

  2022 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies Open access

  21

  citations
• Shock tube study of the pyrolysis kinetics of Di- and trimethoxy methane

  2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

  18

  citations
• Formation of phenylacetylene and benzocyclobutadiene in the ortho -benzyne + acetylene reaction

  2022 Physical Chemistry Chemical Physics article Chemistry Cyclization and Aryne Chemistry Open access

  11

  citations
• Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration

  2021 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies

  2

  citations
• ATOMIUM: halide molecules around the S-type AGB star W Aquilae

  2021 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  21

  citations
• Experimental and modeling study of the low to high temperature oxidation of the linear pentanone isomers: 2-pentanone and 3-pentanone

  2020 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

  29

  citations
• Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects

  2020 ACS Omega article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  18

  citations

12 results