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Papers matching “potential energy surface” 18

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Automatic potential energy surface exploration by accelerated reactive MD simulations: from pyrolysis to oxidation chemistry
2023 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

Wassja A. Kopp, Can Huang, Yuqing Zhao, Peiyang Yu, Felix Schmalz, Lukas Krep, +1 more

0

citations
Theoretical analysis and kinetic modeling of hydrogen abstraction and addition of 1,3-cyclopentadiene and associated reactions on the C5H7 potential energy surface
2020 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

Qian Mao, Liming Cai, Heinz G. Pitsch

18

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

Karl Alexander Heufer, Malte Döntgen

3

citations
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

Karl Alexander Heufer, Malte Döntgen

4

citations
A theoretical analysis of propargyl oxidation by the hydroperoxyl radical
2026 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

Enia Léon Mudimu, Raymond Langer, Narasimhan Viswanathan, Wassja A. Kopp, Heinz G. Pitsch, Kai O. Leonhard

0

citations
Breaking Scaling Relations for Selective Electrochemical Methane Activation to Methanol
2025 ECS Meeting Abstracts conference-abstract Chemical Engineering Catalysts for Methane Reforming

Onyinyechukwu Goodness Njoku, Ian T. McCrum

0

citations
Unimolecular reactions of the resonance-stabilized cyclopentadienyl radicals and their role in the polycyclic aromatic hydrocarbon formation
2020 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies

Qian Mao, Can Huang, Martina Baroncelli, Li Shen, Liming Cai, Kai O. Leonhard, +1 more

16

citations
Furan formation pathways exploration in low temperature oxidation of 1,3-butadiene, trans-2-butene, and cis-2-butene
2021 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access

Bingjie Chen, Peng Liu, Zepeng Li, Nils Hansen, William L. Roberts, Heinz G. Pitsch

14

citations
Pathway exploration in low-temperature oxidation of a new-generation bio-hybrid fuel 1,3-dioxane
2022 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies Open access

Can Huang, Yuqing Zhao, Indu Sekhar Roy, Bingjie Chen, Nils Hansen, Heinz G. Pitsch, +1 more

11

citations
A revised reaction kinetic mechanism for the oxidation of methyl formate
2023 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

Jianfei Yang, Qian Mao, Florian vom Lehn, Heinz G. Pitsch, Liming Cai

8

citations
Theoretical study of important phenylacetylene reactions in polycyclic aromatic hydrocarbon growth
2024 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

Qian Mao, Luna Pratali Maffei, Heinz G. Pitsch, Tiziano Faravelli

7

citations
Principal component-based approach for kinetic model optimization
2025 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access

Sanket Girhe, Raymond Langer, Francesca Loffredo, Heinz G. Pitsch

1

citations
Enhanced H2-Rich Gas Production via Steam Reforming of Toluene over Ni-Based Hydrotalcite-Derived Catalysts at Low Temperature
2021 ACS Sustainable Chemistry & Engineering article Chemical Engineering Catalysts for Methane Reforming

Jie Ren, Feilong Yang, Yiling Liu

28

citations
Thermal decomposition of 1-ethyl-3-methylimidazolium acetate
2023 ChemRxiv preprint Chemical Engineering Ionic liquids properties and applications Open access

Dzmitry H. Zaitsau, Maxim Papusha, Wassja A. Kopp, Kai O. Leonhard

2

citations
Influence of thermal piston insulation on the indicated efficiency of SI-engines
2022 The Proceedings of the International symposium on diagnostics and modeling of combustion in internal combustion engines conference-paper Chemical Engineering Advanced Combustion Engine Technologies Open access

Jens Achenbach, Marcus Fischer, Bastian Lehrheuer, Marco Guenther, Stefan Pischinger

4

citations
Correlation in quantum chemical calculation and its effect on the uncertainty of theoretically predicted rate coefficients and branching ratios
2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies Open access

Can Huang, Zijun Zhou, Bin Yang, Feng P. Zhang

5

citations
Investigation of hot-spot-induced pre-ignition in methanol- and hydrogen-fueled spark-ignition engines
2025 Proceedings of the Combustion Institute article Chemical Engineering Advanced Combustion Engine Technologies Open access

Dominik Golc, Stefania Esposito, Maziar Khosravi, Joachim Beeckmann, Heinz G. Pitsch

4

citations
Experimental investigation of thermal swing piston insulation at single cylinder gasoline engine
2023 Automotive and Engine Technology article Chemical Engineering Advanced Combustion Engine Technologies Open access

Danny Weßling, Hermann Sebastian Rottengruber, Jens Achenbach, Torsten Fischer

1

citations

18 results