| Investigating the effects of basis set on metal–metal and metal–ligand bond distances in stable transition metal carbonyls: Performance of correlation consistent basis sets … BS Narendrapurapu, NA Richardson, AV Copan, ML Estep, Z Yang, ... Journal of chemical theory and computation 9 (7), 2930-2938, 2013 | 54 | 2013 |
| 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 |
| 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 |
| Multi-fidelity Gaussian process modeling for chemical energy surfaces AE Wiens, AV Copan, HF Schaefer Chemical physics letters 737, 100022, 2019 | 26 | 2019 |
| Simulating x-ray absorption spectra with linear-response density cumulant theory R Peng, AV Copan, AY Sokolov The Journal of Physical Chemistry A 123 (9), 1840-1850, 2019 | 25 | 2019 |
| Examining the ground and first excited states of methyl peroxy radical with high-level coupled-cluster theory AV Copan, HF Schaefer III, J Agarwal Molecular physics 113 (19-20), 2992-2998, 2015 | 19 | 2015 |
| Benchmark study of density cumulant functional theory: Thermochemistry and kinetics AV Copan, AY Sokolov, HF Schaefer III Journal of chemical theory and computation 10 (6), 2389-2398, 2014 | 17 | 2014 |
| Peroxyacetyl radical: Electronic excitation energies, fundamental vibrational frequencies, and symmetry breaking in the first excited state AV Copan, AE Wiens, EM Nowara, HF Schaefer, J Agarwal The Journal of chemical physics 142 (5), 2015 | 13 | 2015 |
| 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 |
| Linear-response density cumulant theory for excited electronic states AV Copan, AY Sokolov Journal of Chemical Theory and Computation 14 (8), 4097-4108, 2018 | 10 | 2018 |
| Reinterpreting the infrared spectrum of H+ HCN: Methylene amidogen radical and its coproducts AE Wiens, AV Copan, EC Rossomme, GJR Aroeira, OM Bernstein, ... The Journal of chemical physics 148 (1), 2018 | 7 | 2018 |
| 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 | 1 | 2024 |
| 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, 2024 | | 2024 |
| Marshaling the Resources of First Principles Theory and High Performance Computing to Predict the Chemistry of Combustion S Klippenstein, S Elliott, A Copan, D Moberg, C Mulvihill, L Pratali Maffei, ... APS March Meeting Abstracts 2021, S26. 001, 2021 | | 2021 |
| Thermochemistry for core combustion species: Automating with PACChem S Elliott, M Keceli, A Copan, C Cavallotti, Y Georgievski, S Klippenstein, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Automating high-accuracy thermochemistry and kinetics for combustion S Elliott, M Keceli, A Copan, C Cavallotti, Y Georgievski, H Schaefer, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Density cumulant theory for ground and excited electronic states AV Copan University of Georgia, 2018 | | 2018 |
| Geometry optimizations with effective fragment potentials AJ Burand Jr, AV Copan, RA King ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Ground State and Excited State Potential Energy Surfaces of Peroxyacetyl Radical EM Nowara, AE Wiens, AV Copan, J Agarwal, HF Schaefer III | | |
