Stephen J. Klippenstein
Affiliations: | Chemical Sciences and Engineering Division | Argonne National Laboratory, Lemont, IL, United States |
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"Stephen Klippenstein"Children
Sign in to add trainee| Murat Keceli | post-doc | Argonne National Laboratory (Chemistry Tree) | |
| Michael P. Burke | post-doc | 2011-2014 | Argonne National Laboratory |
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Publications
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| Ram H, Georgievskii Y, Elliott SN, et al. (2024) Association Kinetics for Perfluorinated -Alkyl Radicals. The Journal of Physical Chemistry. A. 129: 555-569 |
| Qian Y, Roy TK, Valente DS, et al. (2024) Infrared Fingerprint and Unimolecular Decay Dynamics of the Hydroperoxyalkyl Intermediate (•QOOH) in Cyclopentane Oxidation. The Journal of Physical Chemistry. A |
| Copan AV, Moore KB, Elliott SN, et al. (2024) Radical Stereochemistry: Accounting for Diastereomers in Kinetic Mechanism Development. The Journal of Physical Chemistry. A |
| Shi Z, Lele AD, Jasper AW, et al. (2024) Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data. The Journal of Physical Chemistry. A |
| Qian Y, Roy TK, Jasper AW, et al. (2024) Isomer-resolved unimolecular dynamics of the hydroperoxyalkyl intermediate (•QOOH) in cyclohexane oxidation. Proceedings of the National Academy of Sciences of the United States of America. 121: e2401148121 |
| Cho J, Rösch D, Tao Y, et al. (2023) Modeling-Experiment-Theory Analysis of Reactions Initiated from Cl + Methyl Formate. The Journal of Physical Chemistry. A |
| Klippenstein SJ, Mulvihill CR, Glarborg P. (2023) Theoretical Kinetics Predictions for Reactions on the NHO Potential Energy Surface. The Journal of Physical Chemistry. A. 127: 8650-8662 |
| Selby TM, Goulay F, Soorkia S, et al. (2023) Radical-Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction. The Journal of Physical Chemistry. A |
| Elliott SN, Keçeli M, Ghosh MK, et al. (2023) High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method. The Journal of Physical Chemistry. A |
| Cho J, Mulvihill CR, Klippenstein SJ, et al. (2022) Bimolecular Peroxy Radical (RO) Reactions and Their Relevance in Radical Initiated Oxidation of Hydrocarbons. The Journal of Physical Chemistry. A |