Publications

Johnson, M.S., Kim, S., Price, T., Zador, J., & Zador, J. (2024). Pynta: Using Machine Learning to Improve High Throughput Discovery of Transition States and Calculation of Surface and Gas-Surface Kinetics [Conference Poster]. 10.2172/2563959

Klippenstein, S.J., Zador, J., & Zador, J. (2023). Dedication to James A. Miller. Combustion and Flame, 257(1). 10.1016/j.combustflame.2023.113013

Li, H., Zador, J., Suits, A.G., & Suits, A.G. (2023). Sulfur (3P) Reaction with Conjugated Dienes Gives Cyclization to Thiophenes under Single Collision Conditions. Journal of Physical Chemistry Letters, 14(34), pp. 7611-7617. 10.1021/acs.jpclett.3c01953

Zador, J., Najm, H.N., Yang, Y., & Yang, Y. (2023). Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces. Journal of Chemical Information and Modeling, 63(8), pp. 2281-2295. 10.1021/acs.jcim.2c01617

Doner, A.C., Zador, J., Rotavera, B., & Rotavera, B. (2023). Unimolecular Reactions of 2,4-Dimethyloxetanyl Radicals. Journal of Physical Chemistry A, 127(11), pp. 2591-2600. https://doi.org/10.1021/acs.jpca.2c08290

Rundel, J.A., Aliod, C.M., Zador, J., Schrader, P., Johansson, K.O.H., Bambha, R., Buckingham, G., Porterfield, J., Kostko, O., Michelsen, H.A., & Michelsen, H.A. (2023). The Identity and Chemistry of C₇H₇ Radicals Observed during Soot Formation. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, 127(13). 10.1021/acs.jpca.2c08949

Aliod, C.M., Michelsen, H.A., Najm, H.N., Zador, J., & Zador, J. (2023). Comprehensive Kinetics on the C₇H₇ Potential Energy Surface under Combustion Conditions. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, 127(8). 10.1021/acs.jpca.2c08035

Zador, J., Aliod, C.M., van de Vijver, R., Johansen, S.L., Yang, Y., Michelsen, H.A., Najm, H.N., & Najm, H.N. (2023). Automated Reaction Kinetics of Gas-Phase Organic Species over Multiwell Potential Energy Surfaces. Journal of Physical Chemistry A, 127(3), pp. 565-588. 10.1021/acs.jpca.2c06558

Johansen, S.L., Sheps, L., Zador, J., Au, K., & 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 Presenation]. 10.2172/2006327

Johnson, M.S., Gierada, M., Bross, D.H., Hermes, E.D., Blais, C., Goldsmith, C.F., West, R.H., Sargsyan, K., Najm, H.N., Zador, J., & Zador, J. (2022). pynta: An automated workflow code for reaction path exploration on surfaces [Conference Presenation]. 10.2172/2004380

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

Johansen, S.L., Sheps, L., Zador, J., Au, K., Eskola, A., & 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 Presenation]. 10.2172/2004476

Lutz, J.J., Jensen, D.S., Hubbard, J.A., Zador, J., & Zador, J. (2022). Hydrolysis of uranium hexafluoride: mechanism, spectroscopy, and thermochemical kinetics [Conference Presenation]. 10.2172/2004484

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

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

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

Yang, Y., Najm, H.N., Zador, J., Eldred, M., & Eldred, M. (2022). A Neural Network Based Model for Reactive Heavy Hydrocarbon Potential Energy Surfaces [Conference Presenation]. 10.2172/2003159

Fellows, M.D., Zador, J., & Zador, J. (2022). Theoretical analysis of QOOH combustion reaction pathways. 10.2172/1865528

Doner, A.C., Zador, J., Rotavera, B., & Rotavera, B. (2022). Stereoisomer-dependent unimolecular kinetics of 2,4-dimethyloxetanyl peroxy radicals. Faraday Discussions, 238, pp. 295-319. 10.1039/d2fd00029f

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

Lutz, J.J., Byrd, J.N., Lotrich, V.F., Jensen, D.S., Zador, J., Hubbard, J.A., & Hubbard, J.A. (2022). A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy. Physical Chemistry Chemical Physics, 24(16), pp. 9634-9647. 10.1039/d1cp05268c

Diaz-Ibarra, O.H., Kim, K., Safta, C., Zador, J., Najm, H.N., & Najm, H.N. (2022). Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis. Combustion Theory and Modelling, 26(2), pp. 201-227. 10.1080/13647830.2021.2002417

Najm, H.N., Yang, Y., Zador, J., Eldred, M., & Eldred, M. (2021). Surrogate models and physics constraints in atomistic modeling [Conference Presenation]. 10.2172/1903685

Zador, J. (2021). Automated Kinetics: Recent Examples [Conference Presenation]. 10.2172/1897158

Najm, H.N., Sargsyan, K., Kim, K., Goldsmith, C.F., West, R.H., Bylaska, E.J., Bross, D.H., Ruscic, B., Safta, C., Zador, J., Blais, C., Blondal, K., Diaz-Ibarra, O.H., Hermes, E., Mazeau, E., & Mazeau, E. (2021). Exascale Catalytic Chemistry (ECC) [Conference Poster]. 10.2172/1890393

West, R.H., Blais, C., Hermes, E., Gierada, M., Bross, D.H., Goldsmith, C.F., Bylaska, E.J., Zador, J., & Zador, J. (2021). REFINING AUTOMATICALLY GENERATED MICROKINETIC MECHANISMS IN A WORKFLOW [Conference Poster]. 10.2172/1890853

Hermes, E., Blondal, K., Kreitz, B., Sargsyan, K., Najm, H.N., Zador, J., Goldsmith, C.F., West, R., & West, R. (2021). Application of a Novel Saddle Point Optimization Algorithm on Surface Reactions Involving Bidentate Adsorbates [Conference Poster]. 10.2172/1890874

Hermes, E., Sargsyan, K., Najm, H.N., Zador, J., & Zador, J. (2021). Geometry optimization speedup through a geodesic approach to internal coordinates. Journal of Chemical Physics, 155(9). 10.1063/5.0060146

Christopher, B., Diaz-Ibarra, O.H., Mazeau, E., Gierada, M., Hermes, E., Safta, C., Kim, K., Najm, H.N., Bylaska, E.J., Zador, J., Goldsmith, C.F., West, R.H., & West, R.H. (2021). AUTOMATIC GENERATION AND ANALYSIS OF MICROKINETIC MODELS [Conference Presenation]. 10.2172/1890361

Sheps, L., Dewyer, A.L., Demireva, M., Zador, J., & 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

van de Vijver, R., Dewyer, A.L., Zador, J., & Zador, J. (2021). Decomposition of 3-hydroperoxypropanal [Conference Presenation]. 10.2172/1864495

Zador, J. (2020). Automated Chemical Kinetics [Presentation]. https://www.osti.gov/biblio/1882315

Sheps, L., Buras, Z., Zador, J., Au, K., Safta, C., & Safta, C. (2020). Rapid Assessment of Autoignition Propensity in Novel Fuels and Blends. 10.2172/1671001

Zador, J. (2020). Accelerating mechanism development for heterogeneous catalysis [Conference Poster]. https://www.osti.gov/biblio/1810256

Zador, J. (2020). Accelerating mechanism development [Conference Poster]. https://www.osti.gov/biblio/1812168

Buras, Z., Safta, C., Zador, J., Sheps, L., & Sheps, L. (2020). Simulated production of OH, HO2, CH2O, and CO2 during dilute fuel oxidation can predict 1st-stage ignition delays. Combustion and Flame, 216, pp. 472-484. 10.1016/j.combustflame.2019.12.013

van de Vijver, R., Zador, J., & Zador, J. (2020). KinBot: Automated stationary point search on potential energy surfaces. Computer Physics Communications, 248(C). 10.1016/j.cpc.2019.106947

Musculus, M.P.B., Zador, J., Li, Z., Roberts, G., Rousselle, C., & Rousselle, C. (2019). OH* Chemiluminescence Imaging and 0-D Chemical-Kinetic Modeling of End-Gas Autoignition for Spark-Ignited Natural Gas [Presentation]. https://www.osti.gov/biblio/1646204

Musculus, M.P.B., Zador, J., Li, Z., Roberts, G., Rousselle, C., & Rousselle, C. (2019). OH* Chemiluminescence Imaging and 0-D Chemical-Kinetic Modeling of End-Gas Autoignition for Spark-Ignited Natural Gas [Presentation]. https://www.osti.gov/biblio/1706213

Zador, J. (2019). Exascale Catalytic Chemistry midterm review presentation [Presentation]. https://www.osti.gov/biblio/1645940

van de Vijver, R., Zador, J., Marin, G.B., van Geem, K.M., & van Geem, K.M. (2019). Combinatorial reaction searches on the PES using KinBot [Conference Poster]. https://www.osti.gov/biblio/1641697

Hermes, E., Zador, J., & Zador, J. (2019). Seeking Saddle Points with Sella [Conference Poster]. https://www.osti.gov/biblio/1639943

Zador, J., van de Vijver, R., & van de Vijver, R. (2019). KinBot: An efficient reactionpathway explorer [Conference Poster]. https://www.osti.gov/biblio/1639962

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

Buras, Z., Au, K., Safta, C., Zador, J., Sheps, L., & Sheps, L. (2018). Coupling FAGE Detection of OH and HO2 with a High-Pressure Reactor for Biofuel Characterization [Conference Poster]. https://www.osti.gov/biblio/1574564

Zador, J. (2018). Automated chemical kinetics [Presentation]. https://www.osti.gov/biblio/1593018

Mayer, M., Zador, J., Sargsyan, K., & Sargsyan, K. (2018). Uncertainty in master-equation-based rate coefficient calculations. 10.2172/1531319

Musculus, M.P.B., Zador, J., Stewart, K.D., Li, Z., Cicone, D.J., Roberts, G., & Roberts, G. (2018). In-Cylinder Diagnostics to Overcome Efficiency Barriers in Natural Gas Engines (LDRD 200166). 10.2172/1474794

van de Vijver, R., Zador, J., & Zador, J. (2018). Predictive Automated Combustion Chemistry: from Molecule to Rate Coefficients using KinBot [Conference Poster]. https://www.osti.gov/biblio/1806539

van de Vijver, R., Zador, J., & Zador, J. (2018). KinBot: Automated stationary point localization on potential energy surfaces [Conference Poster]. https://www.osti.gov/biblio/1806540

Buras, Z., Safta, C., Zador, J., Sheps, L., & Sheps, L. (2018). Using OH and HO2 Radicals as Markers of Biofuel Ignition Properties [Conference Poster]. https://www.osti.gov/biblio/1571559

Hermes, E., Rai, P., Sargsyan, K., Zador, J., Najm, H.N., & Najm, H.N. (2018). Optimization of low-rank tensor functional approximations [Conference Poster]. https://www.osti.gov/biblio/1525693

Johansson, K.O.H., el Gabaly, F., Campbell, M., Schrader, P., Zador, J., Bambha, R., Michelsen, H.A., Elvati, P., Wang, Q., Dillstrom, T., Violi, A., Richards-Henderson, N., Popolan-Vaida, D., Wilson, K., Monti, M., & Monti, M. (2018). Probing Soot Formation and Chemical Evolution During Combustion [Conference Poster]. https://www.osti.gov/biblio/1515139

Grambow, C.A., Jamal, A., Li, Y.P., Green, W.H., Zador, J., Suleimanov, Y.V., & Suleimanov, Y.V. (2018). Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods. Journal of the American Chemical Society, 140(3), pp. 1035-1048. https://doi.org/10.1021/jacs.7b11009

Covert, K.J., Voronova, K., Torma, K.G., Bodi, A., Zador, J., Sztaray, B., & Sztaray, B. (2018). Thermochemistry of the smallest QOOH radical from the roaming fragmentation of energy selected methyl hydroperoxide ions. Physical Chemistry Chemical Physics, 20(32), pp. 21085-21094. 10.1039/C8CP03168A

Leung, K., Zador, J., Jungjohann, K.L., Sai, N., & Sai, N. (2017). Electronic Structure Modeing of Degradation in Photovoltaics and Battery Materials/Interfaces [Conference Poster]. https://www.osti.gov/biblio/1481352

Johansson, K.O.H., Campbell, M.F., Elvati, P., Schrader, P., Zador, J., Richards-Henderson, N.K., Wilson, K.R., Violi, A., Michelsen, H.A., & Michelsen, H.A. (2017). Photoionization Efficiencies of Five Polycyclic Aromatic Hydrocarbons. Journal of Physical Chemistry A, 121(23), pp. 4447-4454. 10.1021/acs.jpca.7b02991

Johansson, K.O.H., Zador, J., Elvati, P., Campbell, M.F., Schrader, P., Richards-Henderson, N.K., Wilson, K.R., Violi, A., Michelsen, H.A., & Michelsen, H.A. (2017). Critical Assessment of Photoionization Efficiency Measurements for Characterization of Soot-Precursor Species. Journal of Physical Chemistry A, 121(23), pp. 4475-4485. 10.1021/acs.jpca.7b02992

Zador, J., Fellows, M.D., Miller, J.A., & Miller, J.A. (2017). Initiation Reactions in Acetylene Pyrolysis [Conference Poster]. Journal of Physical Chemistry A. 10.1021/acs.jpca.7b03040

Zador, J., Fellows, M.D., Miller, J.A., & Miller, J.A. (2017). Initiation reactions in acetylene pyrolysis. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, 121(22). 10.1021/acs.jpca.7b03040

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

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

Osborn, D.L., Taatjes, C.A., Zador, J., Savee, J.D., Sheps, L., Welz, O., & Welz, O. (2016). Kinetics and Spectroscopy of a QOOH Reactive Intermediate [Conference Poster]. https://www.osti.gov/biblio/1404766

Zador, J. (2016). slides describing KinBot [Presentation]. https://www.osti.gov/biblio/1406840

Antonov, I.O., Zador, J., Rotavera, B., Papajak, E., Osborn, D.L., Taatjes, C.A., Sheps, L., & Sheps, L. (2016). Pressure-dependent competition among reaction pathways from first- and second-O2 additions in the low-temperature oxidation of tetrahydrofuran. Journal of Physical Chemistry A, 120(33), pp. 6582-6595. 10.1021/acs.jpca.6b05411

Ramasesha, K., Savee, J.D., Rotavera, B., Caravan, R.L., Antonov, I.O., Zador, J., Taatjes, C.A., Osborn, D.L., & Osborn, D.L. (2016). Multiplexed Photoionization Mass Spectrometry Studies of O(3P) + cyclopentene reveal unexpected pathways [Conference Poster]. https://www.osti.gov/biblio/1369613

Rotavera, B., Caravan, R.L., Ramasesha, K., Antonov, I.O., Papajak, E., Zador, J., Osborn, D.L., Taatjes, C.A., Sheps, L., & Sheps, L. (2016). Implications of Radical Ring-Opening Reactions on Ketohydroperoxide Formation: Cyclohexane and Tetrahydropyran [Conference Poster]. https://www.osti.gov/biblio/1420887

Papajak, E., Rotavera, B., Sheps, L., Taatjes, C.A., Zador, J., & Zador, J. (2016). Identification of combustion intermediates via photoionization: Large amplitude motions in alkyl- and ketohydroperoxides [Conference Poster]. https://www.osti.gov/biblio/1373149

Rotavera, B., Antonov, I.O., Caravan, R.L., Zador, J., Sheps, L., Taatjes, C.A., Osborn, D.L., Savee, J.D., & Savee, J.D. (2016). Influence of Oxygenation in Cyclic Hydrocarbons on Chain-Termination Reactions from R + O2: Tetrahydropyran and Cyclohexane [Conference Poster]. https://www.osti.gov/biblio/1373462

Li, X., Jasper, A.W., Zador, J., Miller, J.A., Klippenstein, S.J., & Klippenstein, S.J. (2016). Theoretical kinetics of O + C₂H₄. Proceedings of the Combustion Institute. 10.1016/j.proci.2016.06.053

Zador, J. (2015). Combustion Chemistry at the Molecular Level [Presentation]. https://www.osti.gov/biblio/1514088

Zador, J. (2015). Decomposition Pathways of Important Ketohydroperoxide Molecules [Conference Poster]. https://www.osti.gov/biblio/1260931

Fellows, M.D., Zador, J., & Zador, J. (2015). Theoretical analysis of QOOH combustion reaction pathways [Presentation]. https://www.osti.gov/biblio/1340140

Fellows, M.D., Zador, J., & Zador, J. (2015). Theoretical Analysis of QOOH combustion reaction pathways [Presentation]. https://www.osti.gov/biblio/1235529

Fellows, M.D., Zador, J., & Zador, J. (2015). Theoretical analysis of QOOH combustion reaction pathways [Presentation]. https://www.osti.gov/biblio/1235530

Savee, J.D., Antonov, I.O., Huang, H., Osborn, D.L., Sheps, L., Zador, J., Taatjes, C.A., & Taatjes, C.A. (2015). Influence of Oxygenation in Cyclic Hydrocarbons on Chain-Termination Reactions from R + O2: Tetrahydropyran and Cyclohexane [Conference Poster]. https://www.osti.gov/biblio/1261093

Eskola, A.J., Zador, J., Antonov, I.O., Savee, J.D., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2015). Probing the Low-Temperature Chain-Branching Mechanism for n-Butane Autoignition Chemistry via Time-Resolved Measurements of Ketohydroperoxide Formation in Photolytically Initiated n-C4H10 Oxidation [Presentation]. 10.1016/j.proci.2014.05.011

Savee, J.D., Zador, J., Li, X., Jasper, A.W., Taatjes, C.A., Osborn, D.L., & Osborn, D.L. (2015). the Multichannel Reaction of O(3P) with Cyclopentene [Conference Poster]. https://www.osti.gov/biblio/1348123

Zador, J. (2015). Combustion Chemistry at the Molecular Level [Presentation]. https://www.osti.gov/biblio/1245942

Zador, J. (2015). Predic've Rate Coefficient Calcula'ons for Combus'on Modeling [Presentation]. https://www.osti.gov/biblio/1245943

Zador, J. (2015). Automated PES Searches for Gas-Phase Chemical Kinetics [Presentation]. https://www.osti.gov/biblio/1245944

Savee, J.D., Papajak, E., Rotavera, B., Huang, H., Eskola, A.J., Welz, O., Sheps, L., Taatjes, C.A., Zador, J., Osborn, D.L., & Osborn, D.L. (2015). Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH) [Conference Poster]. Science. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84922432293&origin=inward

Rotavera, B., Zador, J., Welz, O., Sheps, L., Scheer, A.M., Savee, J.D., Akbar Ali, M., Lee, T.S., Simmons, B., Osborn, D.L., Violi, A., Taatjes, C.A., & Taatjes, C.A. (2014). Photoionization mass spectrometric measurements of initial reaction pathways in low-temperature oxidation of 2,5-dimethylhexane. Journal of Physical Chemistry A, 118(44), pp. 10188-10200. 10.1021/jp507811d

Rotavera, B., Zador, J., Welz, O., Savee, J.D., Sheps, L., Osborn, D.L., Taatjes, C.A., Dillstom, T., Ali, M., Violi, A., & Violi, A. (2014). Decomposition Pathways and Product Formation from R + O2 Reactions in Low-Temperature Oxidation of 25-dimethylhexane [Presentation]. https://www.osti.gov/biblio/1502709

Zador, J. (2014). Adventures on the C₃H₅O potential energy surface: OH+propyne, OH+allene and related reactions. Proceedings of the Combustion Institute, 35(1), pp. 181-188. https://doi.org/10.1016/j.proci.2014.05.103

Zador, J. (2014). CRF Webpages [Presentation]. https://www.osti.gov/biblio/1695608

Taatjes, C.A., Scheer, A.M., Welz, O., Zador, J., Osborn, D.L., & Osborn, D.L. (2013). Low-Temperature Combustion Chemistry of Novel Biofuels: Resonance-Stabilized QOOH in the Oxidation of Diethyl Ketone. Physical Chemistry Chemical Physics. https://www.osti.gov/biblio/1140748

Eskola, A.J., Zador, J., Antonov, I.O., Sheps, L., Savee, J.D., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2013). Probing the Low-Temperature Chain-Branching Mechanism for n-Butane Autoignition Chemistry via Time-Resolved Measurements of Ketohydroperoxide Formation in Photolytically Initiated n-C4H10 Oxidation [Conference]. 10.1016/j.proci.2014.05.011

Li, X., Zador, J., Jasper, A.W., & Jasper, A.W. (2013). Ab Initio Calculation of Unimolecular Spin-forbidden Transition Rate Coefficients in Biradical C2H4O [Conference]. https://www.osti.gov/biblio/1122361

Zador, J. (2013). Theoretical Reaction Kinetics in Combustion Chemistry: Selected Topics [Conference]. https://www.osti.gov/biblio/1109138

Zador, J. (2013). Prospects for the Automated Exploration of the Mechanism of Elementary Reactions [Conference]. https://www.osti.gov/biblio/1113120

Leung, K., Zador, J., & Zador, J. (2013). First Principles Study of Photoxidation Degradation Mechanisms in P3HT for Organic Solar Cells. Energy and Environmental Science. https://www.osti.gov/biblio/1107688

Zador, J. (2013). Uncertainties in ab initio rate coefficient calculations [Conference]. https://www.osti.gov/biblio/1107902

Zador, J., Huang, H., Welz, O., Zetterberg, J., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2013). Directly measuring reaction kinetics of QOOH-a crucial but elusive intermediate in hydrocarbon autoignition. Physical Chemistry Chemical Physics, 15(26), pp. 10753-10760. https://doi.org/10.1039/c3cp51185e

Papajak, E., Zador, J., & Zador, J. (2013). Theoretical approaches to compute accurate kinetics of the 1-butyl + O2 reaction [Conference]. https://www.osti.gov/biblio/1106435

Sheps, L., Welz, O., Zador, J., Savee, J.D., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2013). DETAILED ISOMER-RESOLVED KINETIC STUDY OF LOW-TEMPERATURE AUTOIGNITION CHEMISTRY OF PROPANE [Conference]. https://www.osti.gov/biblio/1113290

Papajak, E., Zador, J., & Zador, J. (2013). Accurate theoretical kinetics of the 1-butyl + O2 reaction [Conference]. https://www.osti.gov/biblio/1080025

Zador, J., Savee, J.D., Eskola, A.J., Sheps, L., Osborn, D.L., Taatjes, C.A., & Taatjes, C.A. (2013). Pathways in the Low-Temperature Oxidation Chemistry of Alcohols [Conference]. https://www.osti.gov/biblio/1073459

Zador, J., Papajak, E., Najm, H.N., & Najm, H.N. (2013). Copy of Inference-based Assessment of Ab Initio Rate Coefficient Calculations [Conference]. https://www.osti.gov/biblio/1078596

Taatjes, C.A., Welz, O., Osborn, D.L., Savee, J.D., Zador, J., Sheps, L., & Sheps, L. (2013). Low-Temperature Combustion Chemistry of n-Butanol: Principal Oxidation Pathways of Hydroxybutyl Radicals. Journal of Physical Chemistry A. https://www.osti.gov/biblio/1078873