Publications

Sheps, L. (2024). Detailed, time-resolved quantification of reaction intermediates: challenges and opportunities for mechanism development [Presentation]. 10.2172/2586099

Demireva, M., Au, K., Hansen, N., & Sheps, L. (2024). Time-resolved quantification of key species and mechanistic insights in low-temperature tetrahydrofuran oxidation. Physical Chemistry Chemical Physics, 26(13). 10.1039/d3cp06227a

Cho, J., Rosch, D., Tao, Y., Osborn, D.L., Klippenstein, S.J., Sheps, L., & Sivaramakrishnan, R. (2023). Modeling–Experiment–Theory Analysis of Reactions Initiated from Cl + Methyl Formate. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, 127(46). 10.1021/acs.jpca.3c05085

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. (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

Demireva, M., Sheps, L., & Hansen, N. (2023). Insights into Constraining Rate Coefficients in Fuel Oxidation Mechanisms Using Genetic Algorithm Optimization. Energy and Fuels, 37(18), pp. 14240-14253. 10.1021/acs.energyfuels.3c02129

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. (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

Choudhary, H., Das, L., Pelton, J.G., Sheps, L., Simmons, B.A., Gladden, J.M., & Singh, S. (2023). Funneled Depolymerization of Ionic Liquid-Based Biorefinery “Heterogeneous” Lignin into Guaiacols over Reusable Palladium Catalyst. Chemistry - A European Journal, 29(27). 10.1002/chem.202300330

Johansen, S.L., Sheps, L., Zador, J., & Au, K. (2022). Investigating Methylamine Oxidation with Computational Chemistry and Photoionization Mass Spectrometry: Insight into the Reactivity of C-centered and N-centered Radicals [Conference Presentation]. 10.2172/2006327

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

Johansen, S.L., Sheps, L., Zador, J., Au, K., & Eskola, A. (2022). Investigating Amine Oxidation with Computational Chemistry and Photoionization Mass Spectrometry: Insight into the Reactivity of C-centered and N-centered Radicals [Conference Presentation]. 10.2172/2004476

Demireva, M., Oreluk, J., Dewyer, A.L., Zador, J., & Sheps, L. (2022). Genetic Algorithm Optimization of A Theory-Based Low-Temperature Cyclopentane Oxidation Model [Conference Presentation]. 10.2172/2004466

Sheps, L., Zador, J., & Johansen, S.L. (2022). Investigating Structure and Reactivity Relationships of Nitrogen-Containing Radicals with Computational Chemistry and Photoionization Mass Spectrometry [Conference Presentation]. 10.2172/2003727

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

Demireva, M., Oreluk, J., Dewyer, A.L., Zador, J., & Sheps, L. (2022). A Low Temperature Cyclopentane Oxidation Kinetics Model: Optimization of A Theory Based Sub Mechanism Against Experiment [Conference Presentation]. 10.2172/2003476

Sheps, L. (2022). Quantitative Probing of Autoignition Intermediates at High Pressures by Time-Resolved VUV Photoionization Mass Spectrometry [Conference Presentation]. 10.2172/2003710

Oreluk, J., Sheps, L., & Najm, H.N. (2022). Bayesian Optimal Experimental Design for Photoionization Mass Spectrometry Experiments [Conference Presentation]. 10.2172/2003048

Rotavera, B., Huang, H., Antonov, I.O., Sheps, L., Zador, J., & 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

Oreluk, J., Sheps, L., & Najm, H.N. (2022). Exploring Bayesian Optimal Experimental Designs for High-dimensional Combustion Systems [Conference Presentation]. 10.2172/2002385

Buras, Z., Hansen, N., Taatjes, C.A., & 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

Ramasesha, K., Tross, J., Schrader, P., Sheps, L., & Au, K. (2021). Table-Top High Photon Energy Sources for Chemical Dynamics Investigations. 10.2172/1820243

Sheps, L., Osborn, D.L., & Hansen, N. (2021). A New Approach to Fundamental Mechanism Discovery in Polymer Upcycling. 10.2172/1821555

Sheps, L., Dewyer, A.L., Demireva, M., & Zador, J. (2021). Quantitative Detection of Products and Radical Intermediates in Low-Temperature Oxidation of Cyclopentane. Journal of Physical Chemistry A, 125(20), pp. 4467-4479. 10.1021/acs.jpca.1c02001

Oreluk, J., Sheps, L., & Najm, H.N. (2021). Bayesian Optimal Experimental Design for Chemical Rate Constant Measurement using Mass Spectrometry [Conference Presentation]. 10.2172/1855329

Taatjes, C.A., Caravan, R.L., Winiberg, F.A.F., Zuraski, K., Au, K., Sheps, L., Osborn, D.L., Vereecken, L., & 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. (2021). Reaction mechanisms of a cyclic ether intermediate: Ethyloxirane. International Journal of Chemical Kinetics, 53(1), pp. 43-59. 10.1002/kin.21423