| 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 | 42 | 2018 |
| 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 | 41 | 2021 |
| Watching a hydroperoxyalkyl radical (• QOOH) dissociate AS Hansen, T Bhagde, KB Moore III, DR Moberg, AW Jasper, ... Science 373 (6555), 679-682, 2021 | 35 | 2021 |
| 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 | 34 | 2021 |
| High-level theoretical characterization of the vinoxy radical (• CH2CHO)+ O2 reaction JD Weidman, RT Allen, KB Moore, HF Schaefer The Journal of chemical physics 148 (18), 2018 | 26 | 2018 |
| C–H··· O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical Assessment KB Moore III, K Sadeghian, CD Sherrill, C Ochsenfeld, HF Schaefer III Journal of chemical theory and computation 13 (11), 5379-5395, 2017 | 22 | 2017 |
| The fate of the tert-butyl radical in low-temperature autoignition reactions KB Moore, JM Turney, HF Schaefer The Journal of chemical physics 146 (19), 2017 | 21 | 2017 |
| Liquid hot NAGMA cooled to 0.4 K: Benchmark thermochemistry of a gas-phase peptide CM Leavitt, KB Moore III, PL Raston, J Agarwal, GH Moody, CC Shirley, ... The Journal of Physical Chemistry A 118 (41), 9692-9700, 2014 | 18 | 2014 |
| Large Intermediates in Hydrazine Decomposition: A Theoretical Study of the N3H5 and N4H6 Potential Energy Surfaces A Grinberg Dana, KB Moore III, AW Jasper, WH Green The Journal of Physical Chemistry A 123 (22), 4679-4692, 2019 | 16 | 2019 |
| Atomic force microscopy characterization and lithography of cu-ligated mercaptoalkanoic acid “Molecular Ruler” multilayers CI Drexler, KB Moore III, CP Causey, TJ Mullen Langmuir 30 (25), 7447-7455, 2014 | 14 | 2014 |
| 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 | 11 | 2023 |
| Sulfurous and sulfonic acids: Predicting the infrared spectrum and setting the surface straight JP Misiewicz, KB Moore, PR Franke, WJ Morgan, JM Turney, ... The Journal of chemical physics 152 (2), 2020 | 10 | 2020 |
| tert-Butyl peroxy radical: ground and first excited state energetics and fundamental frequencies PR Franke, KB Moore, HF Schaefer, GE Douberly Physical Chemistry Chemical Physics 21 (19), 9747-9758, 2019 | 9 | 2019 |
| Alkali-Metal Trihalides: M+X3– Ion Pair or MX–X2 Complex? Z Sun, KB Moore III, JG Hill, KA Peterson, HF Schaefer III, R Hoffmann The Journal of Physical Chemistry B 122 (13), 3339-3353, 2017 | 9 | 2017 |
| 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 |
| Noncovalent Interactions between Molecular Hydrogen and the Alkali Fluorides: H–H··· F–M (M= Li, Na, K, Rb, Cs). High Level Theoretical Predictions and SAPT Analysis D Zhou, G Li, KB Moore III, Y Xie, KA Peterson, HF Schaefer III Journal of chemical theory and computation 14 (10), 5118-5127, 2018 | 4 | 2018 |
| Communication: The Al+ CO2→ AlO+ CO reaction: Experiment vs. theory Z Sun, KB Moore, HF Schaefer The Journal of chemical physics 147 (17), 2017 | 4 | 2017 |
| Streptococcal Hyaluronate Lyase Reveals the Presence of a Structurally Significant C H⋅⋅⋅ O Hydrogen Bond KB Moore III, AN Migues, HF Schaefer III, RA Vergenz Chemistry–A European Journal 20 (4), 990-998, 2014 | 4 | 2014 |
| Assessing the Viability of the Methylsulfinyl Radical‐Ozone Reaction ML Estep, KB Moore III, HF Schaefer III ChemPhysChem 21 (12), 1289-1294, 2020 | 1 | 2020 |
| 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 | | 2024 |
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaVerified email at uga.edu
