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Wassja A. Kopp

RWTH Aachen University

34

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Efficient Reaction Space Exploration with ChemTraYzer-TAD.

2022 J. Chem. Inf. Model.
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Systematic testing of highly reduced mechanisms for high-temperature ignition

2021
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Exploration of complex reaction systems with the Chemical Trajectory analYzer (CTY) and CVHD acceleration

2021 Bulletin of the American Physical Society
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Updated thermochemistry for renewable transportation fuels: New groups and group values for acetals and ethers, their radicals, and peroxy species

2020 International Journal of Chemical Kinetics
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Corrigendum to ``Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions'' [Combust. Flame (189) 433-442]

2020 Combustion and Flame
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Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects

2020
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The first microsolvation step for furans: New experiments and benchmarking strategies.

2020 Journal of Chemical Physics
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Detailed kinetic modeling of dimethoxymethane. Part II: Experimental and theoretical study of the kinetics and reaction mechanism

2019 Combustion and Flame
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Ab initio kinetics predictions for H-atom abstraction from diethoxymethane by hydrogen, methyl, and ethyl radicals and the subsequent unimolecular reactions

2019
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Isomerization and beta-scission of ethyl propionate radicals

2019
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