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Stephen J. Klippenstein

Stephen J. Klippenstein

D-Index & Metrics

Chemistry

D-Index
102
Citations
33310
World Ranking
1183
National Ranking
463

Research.com Recognitions

  • 2020 - Polanyi Medal, Royal Society of Chemistry (UK)
  • 2018 - Fellow of the Combustion Institute for brilliant advances in accurate quantum calculation methods for combustion modeling with detailed chemistry
  • 2006 - Fellow of American Physical Society (APS) Citation For fundamental contributions to the development and application of quantative theoretical methods for predicting the kinetics of chemical reactions in the gas phase

Overview

Stephen J. Klippenstein is affiliated with Argonne National Laboratory in the United States. Their research primarily spans the field of Chemistry, with significant contributions in subfields such as Atmospheric Science, Atomic and Molecular Physics and Optics, Fluid Flow and Transfer Processes, Spectroscopy, and Organic Chemistry.

The research topics that Stephen J. Klippenstein focuses on include:

  • Atmospheric chemistry and aerosols
  • Advanced Combustion Engine Technologies
  • Advanced Chemical Physics Studies
  • Catalytic Processes in Materials Science
  • Combustion and flame dynamics
  • Catalysis and Oxidation Reactions
  • Free Radicals and Antioxidants

Frequent publication venues for their work are:

  • Combustion and Flame
  • The Journal of Physical Chemistry A
  • Proceedings of the Combustion Institute
  • Zenodo (CERN European Organization for Nuclear Research)
  • Faraday Discussions

Stephen J. Klippenstein has collaborated regularly with several coauthors, including:

  • Marsha I. Lester
  • Sarah N. Elliott
  • Ahren W. Jasper
  • Yuri Georgievskii
  • Raghu Sivaramakrishnan

Selected recent papers authored or coauthored by Stephen J. Klippenstein include:

  • Direct kinetic measurements and theoretical predictions of an isoprene-derived Criegee intermediate, 2020, Proceedings of the National Academy of Sciences
  • Theoretical kinetics predictions for NH2 + HO2, 2021, Combustion and Flame
  • Watching a hydroperoxyalkyl radical (•QOOH) dissociate, 2021, Science
  • H₂ + H₂: High level theory and the role of singlet channels, 2023, OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
  • Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis, 2020, Proceedings of the Combustion Institute

Throughout their career, Stephen J. Klippenstein has received several awards, including:

  • Polanyi Medal, Royal Society of Chemistry (UK), 2020
  • Fellow of the Combustion Institute, 2018, for advances in accurate quantum calculation methods for combustion modeling with detailed chemistry
  • Fellow of American Physical Society (APS), 2006, for fundamental contributions to theoretical methods predicting kinetics of chemical reactions in the gas phase

Best Publications

  • Current status of transition-state theory

    Donald G. Truhlar;Bruce C. Garrett;Stephen J. Klippenstein

  • Modeling nitrogen chemistry in combustion

    Peter Glarborg;James A. Miller;Branko Ruscic;Stephen J. Klippenstein

  • Comprehensive H2/O2 kinetic model for high-pressure combustion

    Michael P. Burke;Marcos Chaos;Yiguang Ju;Frederick L. Dryer

  • Modeling the Kinetics of Bimolecular Reactions

    Antonio Fernández-Ramos;James A. Miller;Stephen J. Klippenstein;Stephen J. Klippenstein;Donald G. Truhlar

  • Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions

    Yuri Georgievskii;James A. Miller;Michael P. Burke;Stephen J. Klippenstein

  • A KInetic Database for Astrochemistry (KIDA)

    V. Wakelam;V. Wakelam;E. Herbst;E. Herbst;J. C Loison;J. C Loison;I. W. M. Smith

  • Disequilibrium Carbon, Oxygen, and Nitrogen Chemistry in the Atmospheres of HD 189733b and HD 209458b

    Julianne I. Moses;Channon Visscher;Jonathan J. Fortney;Adam P. Showman

  • DISEQUILIBRIUM CARBON, OXYGEN, AND NITROGEN CHEMISTRY IN THE ATMOSPHERES OF HD 189733b AND HD 209458b

    Julianne I. Moses;C. Visscher;J. J. Fortney;A. P. Showman

  • Master equation methods in gas phase chemical kinetics.

    James A. Miller;Stephen J. Klippenstein

  • The role of NNH in NO formation and control

    Stephen J. Klippenstein;Lawrence B. Harding;Peter Glarborg;James A. Miller

  • The Recombination of Propargyl Radicals and Other Reactions on a C6H6 Potential

    James A. Miller and;Stephen J. Klippenstein

  • THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY

    V. Wakelam;J. C. Loison;E. Herbst;B. Pavone

  • Enols are common intermediates in hydrocarbon oxidation.

    Craig A. Taatjes;Craig A. Taatjes;Nils Hansen;Andrew McIlroy;James A. Miller

  • Variational optimizations in the Rice-Ramsperger-Kassel-Marcus theory calculations for unimolecular dissociations with no reverse barrier

    Stephen J. Klippenstein

  • From theoretical reaction dynamics to chemical modeling of combustion

    Stephen J. Klippenstein

  • Long-range transition state theory.

    Yuri Georgievskii;Stephen J. Klippenstein

  • Role of O2 + QOOH in low-temperature ignition of propane. 1. Temperature and pressure dependent rate coefficients.

    C. Franklin Goldsmith;William H. Green;Stephen J. Klippenstein

  • Chemical kinetics and mechanisms of complex systems: A perspective on recent theoretical advances

    Stephen J. Klippenstein;Vijay S. Pande;Donald G. Truhlar

  • Predictive theory for the combination kinetics of two alkyl radicals

    Stephen J. Klippenstein;Stephen J. Klippenstein;Yuri Georgievskii;Lawrence B. Harding

  • A two transition state model for radical-molecule reactions: a case study of the addition of OH to C2H4.

    Erin E. Greenwald;Simon W. North;Yuri Georgievskii;Stephen J. Klippenstein

  • From the time-dependent, multiple-well master equation to phenomenological rate coefficients

    Stephen J. Klippenstein;James A. Miller

Frequent Co-Authors

Lawrence B. Harding
Lawrence B. Harding Argonne National Laboratory
James A. Miller
James A. Miller Argonne National Laboratory
Craig A. Taatjes
Craig A. Taatjes Sandia National Laboratories
Nils Hansen
Nils Hansen Sandia National Laboratories
Marsha I. Lester
Marsha I. Lester University of Pennsylvania
Phillip R. Westmoreland
Phillip R. Westmoreland North Carolina State University
Roger V. Yelle
Roger V. Yelle University of Arizona
Katharina Kohse-Höinghaus
Katharina Kohse-Höinghaus Bielefeld University
Robert C. Dunbar
Robert C. Dunbar Case Western Reserve University
David L. Osborn
David L. Osborn Sandia National Laboratories

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