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Stephen J. Klippenstein

Argonne National Laboratory
Case Western Reserve University
Sandia National Laboratories

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In Memoriam: Jim Miller (1946–2021)

2021 Combustion and Flame
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Marshaling the Resources of First Principles Theory and High Performance Computing to Predict the Chemistry of Combustion

2021 Bulletin of the American Physical Society
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Entanglement Effect and Angular Momentum Conservation in a Nonseparable Tunneling Treatment.

2021 Journal of Chemical Theory and Computation
- Yuri Georgievskii
- Stephen J. Klippenstein
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Diastereomers and Low-Temperature Oxidation.

2021 Journal of Physical Chemistry A
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Non-Boltzmann Effects in Chain Branching and Pathway Branching for Diethyl Ether Oxidation

2021 Energy & Fuels
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HȮ2 + HȮ2: High Level Theory and the Role of Singlet Channels

2021 Combustion and Flame
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Watching a hydroperoxyalkyl radical (•QOOH) dissociate.

2021 Science
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Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm.

2021 Journal of the American Chemical Society
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Functionalized Hydroperoxide Formation from the Reaction of Methacrolein-Oxide, an Isoprene-Derived Criegee Intermediate, with Formic Acid: Experiment and Theory

2021 Molecules
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Theoretical Kinetics Predictions for NH2 + HO2

2021 Combustion and Flame
- Stephen J. Klippenstein
- Peter Glarborg
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