Publications

Zou, M., Liu, T., Vansco, M.F., Sojdak, C.A., Markus, C.R., Almeida, R., Au, K., Sheps, L., Osborn, D.L., Winiberg, F.A.F., Percival, C.J., Taatjes, C.A., Klippenstein, S.J., Lester, M.I., Caravan, R.L., & Caravan, R.L. (2023). Bimolecular Reaction of Methyl-Ethyl-Substituted Criegee Intermediate with SO2. Journal of Physical Chemistry A, 127(43), pp. 8994-9002. 10.1021/acs.jpca.3c04648

Liu, T., Elliott, S.N., Zou, M., Vansco, M.F., Sojdak, C.A., Markus, C.R., Almeida, R., Au, K., Sheps, L., Osborn, D.L., Percival, C.J., Taatjes, C.A., Caravan, R.L., Klippenstein, S.J., Lester, M.I., & Lester, M.I. (2023). OH Roaming and Beyond in the Unimolecular Decay of the Methyl-Ethyl-Substituted Criegee Intermediate: Observations and Predictions. Journal of the American Chemical Society, 145(35), pp. 19405-19420. 10.1021/jacs.3c07126

Taatjes, C.A., Hansen, N., Osborn, D.L., Winiberg, F.A.F., Percival, C.J., Caravan, R.L., Klippenstein, S.J., & Klippenstein, S.J. (2023). Characterization of Insertion Reactions of Carbonyl Oxide Criegee Intermediates and Their Potential Role in Oligomerization and Tropospheric Aerosol Formation [Conference Presenation]. 10.2172/2430396

Couch, D.E., Kukkadapu, G., Zhang, A.J., Jasper, A.W., Taatjes, C.A., Hansen, N., & Hansen, N. (2023). The role of radical-radical chain-propagating pathways in the phenyl + propargyl reaction [Conference Presenation]. Proceedings of the Combustion Institute. 10.2172/2004181

Couch, D.E., Mulvihill, C., Taatjes, C.A., Sheps, L., & Sheps, L. (2022). Time-resolved quantification of ROO, OOQOOH, KHP in dimethyl ether oxidation [Conference Presenation]. 10.2172/2004337

Couch, D.E., san Marchi, M., Zhang, A.J., Taatjes, C.A., Hansen, N., & Hansen, N. (2022). Radical-radical chain reactions: Low-pressure gas-phase aromatic growth [Conference Presenation]. 10.2172/2004416

Couch, D.E., Jasper, A., Kukkadapu, G., san Marchi, M., Zhang, A.J., Taatjes, C.A., Hansen, N., & Hansen, N. (2022). C6H5 + C5H5 recombination: non-Boltzmann behavior, bridged cyclics, ring opening, and 3-way branching studied by combined experiment, theory, and modeling [Conference Poster]. 10.2172/2004176

san Marchi, M., Couch, D.E., Jasper, A., Kukkadapu, G., Zhang, A.J., Taatjes, C.A., Hansen, N., & Hansen, N. (2022). Molecular weight growth by the phenyl + cyclopentadienyl reaction [Presentation]. https://www.osti.gov/biblio/2004094

Hansen, N., Taatjes, C.A., Zador, J., Chen, J.H., Najm, H.N., Sheps, L., Osborn, D.L., Ramasesha, K., & Ramasesha, K. (2022). Chemical Kinetics at SNL [Conference Presenation]. 10.2172/2003528

Rotavera, B., Huang, H., Antonov, I.O., Sheps, L., Zador, J., Taatjes, C.A., & Taatjes, C.A. (2022). Analysis of OH and HO2 Time Histories Measured in Low-Temperature Oxidation of Hexene Isomers [Conference Poster]. https://www.osti.gov/biblio/2002369

Buras, Z., Hansen, N., Taatjes, C.A., Sheps, L., & Sheps, L. (2022). Prospects and Limitations of Predicting Fuel Ignition Properties from Low-Temperature Speciation Data. Energy and Fuels, 36(6), pp. 3229-3238. 10.1021/acs.energyfuels.1c03342

Couch, D.E., Zhang, A.J., Kukkadapu, G., Taatjes, C.A., Hansen, N., & Hansen, N. (2022). Gas phase radical-radical chain reactions: Hydrocarbon growth without requiring reactivation [Conference Presenation]. 10.2172/2002052

Ramasesha, K., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2022). Dramatic Conformer-Dependent Reactivity of the Acetaldehyde Oxide Criegee Intermediate with Dimethylamine Via a 1,2-Insertion Mechanism. Journal of Physical Chemistry A, 126(5), pp. 710-719. 10.1021/acs.jpca.1c08941

Couch, D.E., Zhang, A.J., Taatjes, C.A., Hansen, N., & Hansen, N. (2021). Experimental Observation of Hydrocarbon Growth by Resonance-Stabilized Radical–Radical Chain Reaction. Angewandte Chemie - International Edition, 60(52), pp. 27230-27235. 10.1002/ange.202110929

Rotavera, B., Taatjes, C.A., & Taatjes, C.A. (2021). Influence of functional groups on low-temperature combustion chemistry of biofuels. Progress in Energy and Combustion Science, 86. https://doi.org/10.1016/j.pecs.2021.100925

Holland, R., Khan, M.A.H., Driscoll, I., Chhantyal-Pun, R., Derwent, R.G., Taatjes, C.A., Orr-Ewing, A.J., Percival, C.J., Shallcross, D.E., & Shallcross, D.E. (2021). Investigation of the Production of Trifluoroacetic Acid from Two Halocarbons, HFC-134a and HFO-1234yf and Its Fates Using a Global Three-Dimensional Chemical Transport Model. ACS Earth and Space Chemistry, 5(4), pp. 849-857. 10.1021/acsearthspacechem.0c00355

Taatjes, C.A., Caravan, R.L., Winiberg, F.A.F., Zuraski, K., Au, K., Sheps, L., Osborn, D.L., Vereecken, L., Percival, C.J., & Percival, C.J. (2021). Insertion products in the reaction of carbonyl oxide Criegee intermediates with acids: Chloro(hydroperoxy)methane formation from reaction of CH2OO with HCl and DCl. Molecular Physics, 119(17-18). 10.1080/00268976.2021.1975199

Christianson, M.G., Doner, A.C., Davis, M.M., Koritzke, A.L., Turney, J.M., Schaefer, H.F., Sheps, L., Osborn, D.L., Taatjes, C.A., Rotavera, B., & Rotavera, B. (2021). Reaction mechanisms of a cyclic ether intermediate: Ethyloxirane. International Journal of Chemical Kinetics, 53(1), pp. 43-59. 10.1002/kin.21423

Vansco, M.F., Caravan, R.L., Pandit, S., Zuraski, K., Winiberg, F.A.F., Au, K., Bhagde, T., Trongsiriwat, N., Walsh, P.J., Osborn, D.L., Percival, C.J., Klippenstein, S.J., Taatjes, C.A., Lester, M.I., & Lester, M.I. (2020). Formic acid catalyzed isomerization and adduct formation of an isoprene-derived Criegee intermediate: Experiment and theory. Physical Chemistry Chemical Physics, 22(46), pp. 26796-26805. 10.1039/d0cp05018k

Hansen, N., Kukkadapu, G., Chen, B., Dong, S., Curran, H., Taatjes, C.A., Eskola, A., Osborn, D., Sheps, L., Pitz, W., Moshammer, K., Jasper, A., Chen, W., Yang, J., Z, W., & Z, W. (2020). The impact of the third O2 addition reaction network on ignition delay times of neo-pentane [Conference Presenation]. 10.2172/1837149

Couch, D.E., Au, K., Taatjes, C.A., Sheps, L., & Sheps, L. (2020). Quantification of Intermediates in Dimethyl Ether Oxidation [Conference Poster]. 10.2172/1837738

Doner, A.C., Davis, M.M., Koritzke, A.L., Christianson, M.G., Turney, J.M., Schaefer, H.F., Sheps, L., Osborn, D.L., Taatjes, C.A., Rotavera, B., & Rotavera, B. (2020). Isomer-Dependent Reaction Mechanisms of Cyclic Ether Intermediates: cis-23-Dimethyloxirane and trans-23-Dimethyloxirane. International Journal of Chemical Kinetics, 53(1). 10.1002/kin.21429

Buras, Z., Hansen, N., Lopez Pintor, D., Sheps, L., Taatjes, C.A., & Taatjes, C.A. (2020). Correlating Ignition Properties with Critical Species Concentrations [Conference Poster]. https://www.osti.gov/biblio/1813284

Chhantyal-Pun, R., Khan, M.A.H., Taatjes, C.A., Percival, C.J., Orr-Ewing, A.J., Shallcross, D.E., & Shallcross, D.E. (2020). Criegee intermediates: production, detection and reactivity. International Reviews in Physical Chemistry, 39(3), pp. 383-422. 10.1080/0144235x.2020.1792104

Vansco, M.F., Caravan, R.L., Zuraski, K., Winiberg, F.A.F., Au, K., Trongsiriwat, N., Walsh, P.J., Osborn, D.L., Percival, C.J., Khan, M.A.H., Shallcross, D.E., Taatjes, C.A., Lester, M.I., & Lester, M.I. (2020). Experimental Evidence of Dioxole Unimolecular Decay Pathway for Isoprene-Derived Criegee Intermediates. Journal of Physical Chemistry A, 124(18), pp. 3542-3554. 10.1021/acs.jpca.0c02138

Holland, R., Khan, M.A.H., Chhantyal-Pun, R., Orr-Ewing, A.J., Percival, C.J., Taatjes, C.A., Shallcross, D.E., & Shallcross, D.E. (2020). Investigating the atmospheric sources and sinks of perfluorooctanoic acid using a global chemistry transport model. Atmosphere, 11(4). 10.3390/atmos11040407

Taatjes, C.A. (2020). Challenges in Understanding Elementary Reactions in Complex Environments [Presentation]. https://www.osti.gov/biblio/1807172

Osborn, D.L., Eskola, A., Sheps, L., Taatjes, C.A., & Taatjes, C.A. (2019). Towards Understanding Autoignition Chemistry of Fuel-Air(Oxygen) Mixtures Important for New IC-Engine Technologies Using a Novel High-Pressure Reactor Interfaced with a Synchrotron Photoionization Time-of-Flight Mass-Spectrometer [Conference Poster]. https://www.osti.gov/biblio/1762579

Taatjes, C.A. (2019). Reactions of 'Elusive' Intermediates & Trying to Understand Complicated Chemistry Step by Step [Conference Poster]. https://www.osti.gov/biblio/1641906

Rotavera, B., Taatjes, C.A., & Taatjes, C.A. (2019). Functional Group Chemistry of Low-Temperature Biofuel Oxidation [Conference Poster]. https://www.osti.gov/biblio/1641905

Taatjes, C.A. (2019). Hydrocarbon oxidation and reactions on multiple potential energy surfaces [Conference Poster]. https://www.osti.gov/biblio/1641904

Taatjes, C.A. (2019). Gas-Phase Reactions of Carbonyl Oxides [Conference Poster]. https://www.osti.gov/biblio/1642011

Shallcross, D.E., Khan, M.A., Taatjes, C.A., Percival, C.J., & Percival, C.J. (2019). New Insights into the Role of Stabilized Criegee Intermediates in Tropospheric Chemistry from Laboratory Studies. 10.1142/9789813271838_0005

Taatjes, C.A. (2019). Fundamental reactions in accidental and intentional oxidation of hydrocarbons [Presentation]. https://www.osti.gov/biblio/1645838

Taatjes, C.A. (2019). Characterization of Intermediates in Atmospherically Relevant Hydrocarbon Oxidation Processes [Conference Poster]. https://www.osti.gov/biblio/1640951

Taatjes, C.A., Khan, M.A.H., Eskola, A.J., Percival, C.J., Osborn, D.L., Wallington, T.J., Shallcross, D.E., & Shallcross, D.E. (2019). Reaction of Perfluorooctanoic Acid with Criegee Intermediates and Implications for the Atmospheric Fate of Perfluorocarboxylic Acids. Environmental Science and Technology, 53(3), pp. 1245-1251. 10.1021/acs.est.8b05073

Caravan, R.L., Khan, M.A.H., Zador, J., Sheps, L., Antonov, I.O., Rotavera, B., Ramasesha, K., Au, K., Chen, M.W., Roesch, D., Osborn, D.L., Fittschen, C., Schoemaecker, C., Duncianu, M., Grira, A., Dusanter, S., Tomas, A., Percival, C.J., Shallcross, D.E., Taatjes, C.A., & Taatjes, C.A. (2018). The reaction of hydroxyl and methylperoxy radicals is not a major source of atmospheric methanol. Nature Communications, 9(1). 10.1038/s41467-018-06716-x

Khan, M.A.H., Lyons, K., Chhantyal-Pun, R., McGillen, M.R., Caravan, R.L., Taatjes, C.A., Orr-Ewing, A.J., Percival, C.J., Shallcross, D.E., & Shallcross, D.E. (2018). Investigating the Tropospheric Chemistry of Acetic Acid Using the Global 3-D Chemistry Transport Model, STOCHEM-CRI. Journal of Geophysical Research: Atmospheres, 123(11), pp. 6267-6281. https://doi.org/10.1029/2018JD028529

Khan, M.A.H., Percival, C.J., Caravan, R.L., Taatjes, C.A., Shallcross, D.E., & Shallcross, D.E. (2018). Criegee intermediates and their impacts on the troposphere. Environmental Science: Processes and Impacts, 20(3), pp. 437-453. 10.1039/C7EM00585G

Taatjes, C.A. (2018). Direct Measurement of Elusive Intermediates [Presentation]. https://www.osti.gov/biblio/1497227

Osborn, D.L., Czekner, J., Taatjes, C.A., Meloni, G., & Meloni, G. (2018). Study of low temperature chlorine atom initiated oxidation of methyl and ethyl butyrate using synchrotron photoionization TOF-mass spectrometry. Physical Chemistry Chemical Physics, 20(8), pp. 5785-5794. 10.1039/c7cp08221e

Eskola, A.J., Dontgen, M., Rotavera, B., Caravan, R.L., Welz, O., Savee, J.D., Osborn, D.L., Shallcross, D.E., Percival, C.J., Taatjes, C.A., & Taatjes, C.A. (2018). Direct kinetics study of CH2OO + methyl vinyl ketone and CH2OO + methacrolein reactions and an upper limit determination for CH2OO + CO reaction. Physical Chemistry Chemical Physics, 20(29), pp. 19373-19381. 10.1039/C8CP03606C

Caravan, R.L., Eskola, A.J., Antonov, I.O., Winiberg, F.A.F., Rotavera, B., Ramasesha, K., Sheps, L., Osborn, D.L., Percival, C.J., Shallcross, D.E., Taatjes, C.A., & Taatjes, C.A. (2018). Formation of low-volatility products in reactions of carbonyl oxide criegee intermediates [Conference Poster]. 15th Conference of the International Society of Indoor Air Quality and Climate, INDOOR AIR 2018. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85105674576&origin=inward

Bannan, T.J., Murray Booth, A., le Breton, M., Bacak, A., Muller, J.B.A., Leather, K.E., Khan, M.A.H., Lee, J.D., Dunmore, R.E., Hopkins, J.R., Fleming, Z.L., Sheps, L., Taatjes, C.A., Shallcross, D.E., Percival, C.J., & Percival, C.J. (2017). Seasonality of Formic Acid (HCOOH) in London during the ClearfLo Campaign: Seasonality of Formic Acid in London. Journal of Geophysical Research: Atmospheres, 122(22), pp. 1-12. https://doi.org/10.1002/2017JD027064

Rotavera, B., Caravan, R.L., Taatjes, C.A., & Taatjes, C.A. (2017). Subsequent R + O₂ Chemistry of Intermediates Formed in Low-Temperature R + O₂ Reactions: Potential Importance in Modeling Autoignition Behavior. 10.2172/1599535

Caravan, R.L., Khan, A.M., Rotavera, B., Papajak, E., Antonov, I., Chen, M., Au, K., Chao, W., Osborn, D.L., Lin, J.M., Percival, C.J., Shallcross, D.E., Taatjes, C.A., & Taatjes, C.A. (2017). Products of Criegee Intermediate Reactions with NO2: Experimental Measurements and Tropospheric Implications [Conference Poster]. https://doi.org/10.1039/C7FD00007C

Caravan, R.L., Khan, A.M., Rotavera, B., Papajak, E., Antonov, I., Chen, M., Au, K., Chao, W., Osborn, D.L., Lin, J.M., Percival, C.J., Shallcross, D.E., Taatjes, C.A., & Taatjes, C.A. (2017). Products of Criegee Intermediate Reactions with NO2: Experimental Measurements and Tropospheric Implications [Presentation]. https://doi.org/10.1039/C7FD00007C

Chen, M., Rotavera, B., Chao, W., Lin, J., Zador, J., Taatjes, C.A., & Taatjes, C.A. (2017). Direct Measurement of OH and HO2 Formation in R + O2 Reactions of Cyclohexane and Tetrahydropyran: Influence of Oxygenation in Cyclic Hydrocarbons [Conference Poster]. https://www.osti.gov/biblio/1367244

Sheps, L., Rotavera, B., Eskola, A.J., Osborn, D.L., Taatjes, C.A., Au, K., Shallcross, D.E., Khan, M.A.H., Percival, C.J., & Percival, C.J. (2017). The reaction of Criegee intermediate CH2OO with water dimer: Primary products and atmospheric impact. Physical Chemistry Chemical Physics, 19(33), pp. 21970-21979. 10.1039/c7cp03265j

Caravan, R.L., Rotavera, B., Papajak, E., Antonov, I.O., Ramasesha, K., Zador, J., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2017). Reaction mechanisms of R and QOOH radicals produced in low-temperature oxidation of butanone [Conference Poster]. 10th U.S. National Combustion Meeting. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85048972878&origin=inward