| Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics M Keçeli, SN Elliott, YP Li, MS Johnson, C Cavallotti, Y Georgievskii, ... Proceedings of the Combustion Institute 37 (1), 363-371, 2019 | 86 | 2019 |
| Super-resolution chemical imaging with plasmonic substrates AP Olson, CT Ertsgaard, SN Elliott, NC Lindquist ACS Photonics 3 (3), 329-336, 2016 | 51 | 2016 |
| Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis SN Elliott, KB Moore III, AV Copan, M Keçeli, C Cavallotti, Y Georgievskii, ... Proceedings of the Combustion Institute 38 (1), 375-384, 2021 | 50 | 2021 |
| Re-examining ammonia addition to the Criegee intermediate: converging to chemical accuracy JP Misiewicz, SN Elliott, KB Moore, HF Schaefer Physical Chemistry Chemical Physics 20 (11), 7479-7491, 2018 | 44 | 2018 |
| Substitution reactions in the pyrolysis of acetone revealed through a modeling, experiment, theory paradigm DP Zaleski, R Sivaramakrishnan, HR Weller, NA Seifert, DH Bross, ... Journal of the American Chemical Society 143 (8), 3124-3142, 2021 | 41 | 2021 |
| The addition of methanol to Criegee intermediates GJR Aroeira, AS Abbott, SN Elliott, JM Turney, HF Schaefer Physical Chemistry Chemical Physics 21 (32), 17760-17771, 2019 | 23 | 2019 |
| Non-Boltzmann effects in chain branching and pathway branching for diethyl ether oxidation CR Mulvihill, AD Danilack, CF Goldsmith, M Demireva, L Sheps, ... Energy & Fuels 35 (21), 17890-17908, 2021 | 22 | 2021 |
| A wide range experimental study and further development of a kinetic model describing propane oxidation L Zhu, S Panigrahy, SN Elliott, SJ Klippenstein, M Baigmohammadi, ... Combustion and Flame 248, 112562, 2023 | 18 | 2023 |
| Systematically derived thermodynamic properties for alkane oxidation SN Elliott, KB Moore III, AV Copan, Y Georgievskii, M Keçeli, KP Somers, ... Combustion and Flame 257, 112487, 2023 | 16 | 2023 |
| Group additivity values for the heat of formation of C2–C8 alkanes, alkyl hydroperoxides, and their radicals MK Ghosh, SN Elliott, KP Somers, SJ Klippenstein, HJ Curran Combustion and Flame 257, 112492, 2023 | 14 | 2023 |
| High-accuracy heats of formation for alkane oxidation: From small to large via the automated CBH-anl method SN Elliott, M Keçeli, MK Ghosh, KP Somers, HJ Curran, SJ Klippenstein The Journal of Physical Chemistry A 127 (6), 1512-1531, 2023 | 14 | 2023 |
| OH roaming and beyond in the unimolecular decay of the methyl-ethyl-substituted Criegee intermediate: observations and predictions T Liu, SN Elliott, M Zou, MF Vansco, CA Sojdak, CR Markus, R Almeida, ... Journal of the American Chemical Society 145 (35), 19405-19420, 2023 | 11 | 2023 |
| Group additivity values for entropy and heat capacities of C2–C8 alkanes, alkyl hydroperoxides, and their radicals MK Ghosh, SN Elliott, KP Somers, SJ Klippenstein, HJ Curran Combustion and Flame 257, 112706, 2023 | 10 | 2023 |
| The cis-and trans-formylperoxy radical: fundamental vibrational frequencies and relative energies of the X [combining tilde] 2 A′′ and à 2 A′ states SN Elliott, JM Turney, HF Schaefer RSC advances 5 (130), 107254-107265, 2015 | 7 | 2015 |
| OH Roaming during the Ozonolysis of α-Pinene: A New Route to Highly Oxygenated Molecules? SJ Klippenstein, SN Elliott The Journal of Physical Chemistry A 127 (50), 10647-10662, 2023 | 6 | 2023 |
| Automated identification and calculation of prompt effects in kinetic mechanisms using statistical models LP Maffei, KB Moore III, Y Georgievskii, CR Mulvihill, SN Elliott, J Cho, ... Combustion and Flame 257, 112422, 2023 | 5 | 2023 |
| Uncovering novel liquid organic hydrogen carriers: a systematic exploration of chemical compound space using cheminformatics and quantum chemical methods H Harb, SN Elliott, L Ward, IT Foster, SJ Klippenstein, LA Curtiss, ... Digital Discovery 2 (6), 1813-1830, 2023 | 5 | 2023 |
| The influence of thermochemistry on the reactivity of propane, the pentane isomers and n-heptane in the low temperature regime MK Ghosh, S Panigrahy, S Dong, SN Elliott, SJ Klippenstein, HJ Curran Proceedings of the Combustion Institute 39 (1), 653-662, 2023 | 3 | 2023 |
| Radical Stereochemistry: Accounting for Diastereomers in Kinetic Mechanism Development AV Copan, KB Moore III, SN Elliott, CR Mulvihill, L Pratali Maffei, ... The Journal of Physical Chemistry A 128 (18), 3711-3725, 2024 | 2 | 2024 |
| The role of stereochemistry in combustion processes SN Elliott, KB Moore III, CR Mulvihill, AV Copan, L Pratali Maffei, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (2), e1710, 2024 | 2 | 2024 |
