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Stephen J Klippenstein (S J Klippenstein)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 39

Top Venues

The journal of physical chemistry. A

The Journal of chemical physics

Journal of the American Chemical Society

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Sarah N Elliott, Murat Keçeli, Manik K Ghosh, Kieran P Somers, Henry J Curran, Stephen J Klippenstein
High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method. The journal of physical chemistry. A (2023)
Stephen J Klippenstein, Sarah N Elliott
OH Roaming during the Ozonolysis of α-Pinene: A New Route to Highly Oxygenated Molecules? The journal of physical chemistry. A (2023)
Meijun Zou, Tianlin Liu, Michael F Vansco, Christopher A Sojdak, Charles R Markus, Raybel Almeida, Kendrew Au, Leonid Sheps, David L Osborn, Frank A F Winiberg, Carl J Percival, Craig A Taatjes, Stephen J Klippenstein, Marsha I Lester, Rebecca L Caravan
Bimolecular Reaction of Methyl-Ethyl-Substituted Criegee Intermediate with SO 2 . The journal of physical chemistry. A (2023)
Stephen J Klippenstein, Katharina Kohse-Höinghaus
Combustion in a Sustainable World: From Molecules to Processes. The journal of physical chemistry. A 127 (17) (2023)
Stephen J Klippenstein, Clayton R Mulvihill, Peter Glarborg
Theoretical Kinetics Predictions for Reactions on the NH 2 O Potential Energy Surface. The journal of physical chemistry. A (2023)
Jaeyoung Cho, Daniel Rösch, Yujie Tao, David L Osborn, Stephen J Klippenstein, Leonid Sheps, Raghu Sivaramakrishnan
Modeling-Experiment-Theory Analysis of Reactions Initiated from Cl + Methyl Formate. The journal of physical chemistry. A (2023)
Sarah N Elliott, Murat Keçeli, Manik K Ghosh, Kieran P Somers, Henry J Curran, Stephen J Klippenstein
High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method. The journal of physical chemistry. A 127 (6) (2023)
Talitha M Selby, Fabien Goulay, Satchin Soorkia, Amelia Ray, Ahren W Jasper, Stephen J Klippenstein, Alexander N Morozov, Alexander Moiseevich Mebel, John D Savee, Craig A Taatjes, David L Osborn
Radical-Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction. The journal of physical chemistry. A (2023)
Tianlin Liu, Sarah N Elliott, Meijun Zou, Michael F Vansco, Christopher A Sojdak, Charles R Markus, Raybel Almeida, Kendrew Au, Leonid Sheps, David L Osborn, Frank A F Winiberg, Carl J Percival, Craig A Taatjes, Rebecca L Caravan, Stephen J Klippenstein, Marsha I Lester
OH Roaming and Beyond in the Unimolecular Decay of the Methyl-Ethyl-Substituted Criegee Intermediate: Observations and Predictions. Journal of the American Chemical Society (2023)
Talitha M Selby, Fabien Goulay, Satchin Soorkia, Amelia Ray, Ahren W Jasper, Stephen J Klippenstein, Alexander N Morozov, Alexander Moiseevich Mebel, John D Savee, Craig A Taatjes, David L Osborn
Radical-Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction. The journal of physical chemistry. A 127 (11) (2023)
Talitha M Selby, Fabien Goulay, Satchin Soorkia, Amelia Ray, Ahren W Jasper, Stephen J Klippenstein, Alexander N Morozov, Alexander Moiseevich Mebel, John D Savee, Craig A Taatjes, David L Osborn
Radical-Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction. The journal of physical chemistry. A (2023)
Jaeyoung Cho, Clayton R Mulvihill, Stephen J Klippenstein, Raghu Sivaramakrishnan
Bimolecular Peroxy Radical (RO 2 ) Reactions and Their Relevance in Radical Initiated Oxidation of Hydrocarbons. The journal of physical chemistry. A (2022)
Anne Schou Hansen, Trisha Bhagde, Yujie Qian, Alyssa Cavazos, Rachel M Huchmala, Mark A Boyer, Coire F Gavin-Hanner, Stephen J Klippenstein, Anne B McCoy, Marsha I Lester
Infrared spectroscopic signature of a hydroperoxyalkyl radical (•QOOH). The Journal of chemical physics 156 (1) (2022)
Anne Schou Hansen, Yujie Qian, Christopher A Sojdak, Marisa C Kozlowski, Vincent J Esposito, Joseph S Francisco, Stephen J Klippenstein, Marsha I Lester
Rapid Allylic 1,6 H-Atom Transfer in an Unsaturated Criegee Intermediate. Journal of the American Chemical Society 144 (13) (2022)
Jaeyoung Cho, Clayton R Mulvihill, Stephen J Klippenstein, Raghu Sivaramakrishnan
Bimolecular Peroxy Radical (RO 2 ) Reactions and Their Relevance in Radical Initiated Oxidation of Hydrocarbons. The journal of physical chemistry. A 127 (1) (2022)
Stephen J Klippenstein
Spiers Memorial Lecture: Theory of unimolecular reactions. Faraday discussions 238 (0) (2022)
Trisha Bhagde, Anne Schou Hansen, Shuguang Chen, Patrick J Walsh, Stephen J Klippenstein, Marsha I Lester
Energy-resolved and time-dependent unimolecular dissociation of hydroperoxyalkyl radicals (˙QOOH). Faraday discussions 238 (0) (2022)
Dmitri Babikov, Michael P Burke, Piergiorgio Casavecchia, William H Green, Alon Grinberg Dana, Hua Guo, Dwayne E Heard, David Heathcote, Majdi Hochlaf, Ahren W Jasper, Stephen J Klippenstein, Marsha I Lester, Carles Martí, Alexander M Mebel, Amy S Mullin, Thanh Lam Nguyen, Matthias Olzmann, Andrew J Orr-Ewing, David L Osborn, Patrick A Robertson, Matthew S Robinson, Robin J Shannon, Oisin J Shiels, Arthur G Suits, Craig A Taatjes, Jürgen Troe, Xuefei Xu, Xiaoqing You, Feng Zhang, Rui Ming Zhang, Judit Zádor
Collisional energy transfer: general discussion. Faraday discussions 238 (0) (2022)
Michael F Vansco, Meijun Zou, Ivan O Antonov, Krupa Ramasesha, Brandon Rotavera, David L Osborn, Yuri Georgievskii, Carl J Percival, Stephen J Klippenstein, Craig A Taatjes, Marsha I Lester, Rebecca L Caravan
Dramatic Conformer-Dependent Reactivity of the Acetaldehyde Oxide Criegee Intermediate with Dimethylamine Via a 1,2-Insertion Mechanism. The journal of physical chemistry. A 126 (5) (2021)
Anne Schou Hansen, Trisha Bhagde, Kevin B Moore, Daniel R Moberg, Ahren W Jasper, Yuri Georgievskii, Michael F Vansco, Stephen J Klippenstein, Marsha I Lester
Watching a hydroperoxyalkyl radical (•QOOH) dissociate. Science (New York, N.Y.) 373 (6555) (2021)
Daniel P Zaleski, Raghu Sivaramakrishnan, Hailey R Weller, Nathan A Seifert, David H Bross, Branko Ruscic, Kevin B Moore, Sarah N Elliott, Andreas V Copan, Lawrence B Harding, Stephen J Klippenstein, Robert W Field, Kirill Prozument
Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm. Journal of the American Chemical Society 143 (8) (2021)
Yuri Georgievskii, Stephen J Klippenstein
Entanglement Effect and Angular Momentum Conservation in a Nonseparable Tunneling Treatment. Journal of chemical theory and computation 17 (7) (2021)
Aaron D Danilack, Clayton R Mulvihill, Stephen J Klippenstein, C Franklin Goldsmith
Diastereomers and Low-Temperature Oxidation. The journal of physical chemistry. A 125 (36) (2021)
Michael F Vansco, Kristen Zuraski, Frank A F Winiberg, Kendrew Au, Nisalak Trongsiriwat, Patrick J Walsh, David L Osborn, Carl J Percival, Stephen J Klippenstein, Craig A Taatjes, Marsha I Lester, Rebecca L Caravan
Functionalized Hydroperoxide Formation from the Reaction of Methacrolein-Oxide, an Isoprene-Derived Criegee Intermediate, with Formic Acid: Experiment and Theory. Molecules (Basel, Switzerland) 26 (10) (2021)
Rebecca L Caravan, Michael F Vansco, Kendrew Au, M Anwar H Khan, Yu-Lin Li, Frank A F Winiberg, Kristen Zuraski, Yen-Hsiu Lin, Wen Chao, Nisalak Trongsiriwat, Patrick J Walsh, David L Osborn, Carl J Percival, Jim Jr-Min Lin, Dudley E Shallcross, Leonid Sheps, Stephen J Klippenstein, Craig A Taatjes, Marsha I Lester
Direct kinetic measurements and theoretical predictions of an isoprene-derived Criegee intermediate. Proceedings of the National Academy of Sciences of the United States of America 117 (18) (2020)
Chia-Hua Wu, D Brandon Magers, Lawrence B Harding, Stephen J Klippenstein, Wesley D Allen
Reaction Profiles and Kinetics for Radical-Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory. Journal of chemical theory and computation 16 (3) (2020)
Ahren W Jasper, Raghu Sivaramakrishnan, Stephen J Klippenstein
Nonthermal rate constants for CH4 * + X → CH3 + HX, X = H, O, OH, and O2. The Journal of chemical physics 150 (11) (2019)
Michael F Vansco, Barbara Marchetti, Nisalak Trongsiriwat, Trisha Bhagde, Guanghan Wang, Patrick J Walsh, Stephen J Klippenstein, Marsha I Lester
Synthesis, Electronic Spectroscopy, and Photochemistry of Methacrolein Oxide: A Four-Carbon Unsaturated Criegee Intermediate from Isoprene Ozonolysis. Journal of the American Chemical Society 141 (38) (2019)
Kirill Prozument, Joshua H Baraban, P Bryan Changala, G Barratt Park, Rachel G Shaver, John S Muenter, Stephen J Klippenstein, Vladimir Y Chernyak, Robert W Field
Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy. Proceedings of the National Academy of Sciences of the United States of America 117 (1) (2019)
Carlo Cavallotti, M Pelucchi, Y Georgievskii, Stephen J Klippenstein
EStokTP: Electronic Structure to Temperature- and Pressure-Dependent Rate Constants-A Code for Automatically Predicting the Thermal Kinetics of Reactions. Journal of chemical theory and computation 15 (2) (2019)
Mark Pfeifle, Yong-Tao Ma, Ahren W Jasper, Lawrence B Harding, William L Hase, Stephen J Klippenstein
Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation. The Journal of chemical physics 148 (17) (2018)
Yi Fang, Victoria P Barber, Stephen J Klippenstein, Anne B McCoy, Marsha I Lester
Tunneling effects in the unimolecular decay of (CH3)2COO Criegee intermediates to OH radical products. The Journal of chemical physics 146 (13) (2018)
Victoria P Barber, Shubhrangshu Pandit, Amy M Green, Nisalak Trongsiriwat, Patrick J Walsh, Stephen J Klippenstein, Marsha I Lester
Four-Carbon Criegee Intermediate from Isoprene Ozonolysis: Methyl Vinyl Ketone Oxide Synthesis, Infrared Spectrum, and OH Production. Journal of the American Chemical Society 140 (34) (2018)
Mark Pfeifle, Yuri Georgievskii, Ahren W Jasper, Stephen J Klippenstein
Theoretical investigation of intersystem crossing in the cyanonitrene molecule, 1NCN → 3NCN. The Journal of chemical physics 147 (8) (2018)
Ahren W Jasper, Zackery B Gruey, Lawrence B Harding, Yuri Georgievskii, Stephen J Klippenstein, Albert F Wagner
Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals. The journal of physical chemistry. A 122 (6) (2018)
Marsha I Lester, Stephen J Klippenstein
Unimolecular Decay of Criegee Intermediates to OH Radical Products: Prompt and Thermal Decay Processes. Accounts of chemical research 51 (4) (2018)
Stephen J Klippenstein, Lawrence B Harding, Branko Ruscic
Ab Initio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species. The journal of physical chemistry. A 121 (35) (2017)
Daniel P Zaleski, Lawrence B Harding, Stephen J Klippenstein, Branko Ruscic, Kirill Prozument
Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor. The journal of physical chemistry letters 8 (24) (2017)
Yang Li, Stephen J Klippenstein, Chong-Wen Zhou, Henry J Curran
Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ4H7 Potential Energy Surface. The journal of physical chemistry. A 121 (40) (2017)

Stephen J Klippenstein.css-eqlu8i{font-size:small;padding-left:4px;} (S J Klippenstein)

Publication Activity (10 Years)

Top Topics

Top Venues

Stephen J Klippenstein (S J Klippenstein)