High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency JH Thorpe, CA Lopez, TL Nguyen, JH Baraban, DH Bross, B Ruscic, ... The Journal of Chemical Physics 150, 224102, 2019 | 72 | 2019 |
Exhaustive product analysis of three benzene discharges by microwave spectroscopy MC McCarthy, KLK Lee, PB Carroll, JP Porterfield, PB Changala, ... The Journal of Physical Chemistry A 124 (25), 5170-5181, 2020 | 54 | 2020 |
Thermal decomposition of potential ester biofuels. Part I: methyl acetate and methyl butanoate JP Porterfield, DH Bross, B Ruscic, JH Thorpe, TL Nguyen, JH Baraban, ... The Journal of Physical Chemistry A 121 (24), 4658-4677, 2017 | 38 | 2017 |
Electron transfer facilitated by dendrimer-encapsulated Pt nanoparticles across ultrathin, insulating oxide films N Ostojic, JH Thorpe, RM Crooks Journal of the American Chemical Society 138 (21), 6829-6837, 2016 | 30 | 2016 |
Unimolecular reaction of methyl isocyanide to acetonitrile: A high-level theoretical study TL Nguyen, JH Thorpe, DH Bross, B Ruscic, JF Stanton The Journal of Physical Chemistry Letters 9 (10), 2532-2538, 2018 | 21 | 2018 |
Elaborated thermochemical treatment of HF, CO, N2, and H2O: Insight into HEAT and its extensions JH Thorpe, JL Kilburn, D Feller, PB Changala, DH Bross, B Ruscic, ... The Journal of Chemical Physics 155 (18), 2021 | 18 | 2021 |
Isomer-selected ion–molecule reactions of acetylene cations with propyne and allene PC Schmid, J Greenberg, TL Nguyen, JH Thorpe, KJ Catani, OA Krohn, ... Physical Chemistry Chemical Physics 22 (36), 20303-20310, 2020 | 16 | 2020 |
Sub 20 cm− 1 computational prediction of the CH bond energy–a case of systematic error in computational thermochemistry JH Thorpe, D Feller, DH Bross, B Ruscic, JF Stanton Physical Chemistry Chemical Physics 25 (32), 21162-21172, 2023 | 6 | 2023 |
Using isotopologues to probe the potential energy surface of reactions of C2H2++ C3H4 J Greenberg, PC Schmid, JH Thorpe, TL Nguyen, KJ Catani, OA Krohn, ... The Journal of Chemical Physics 154 (12), 2021 | 6 | 2021 |
Hartree-Fock instabilities and the diagonal Born-Oppenheimer correction JH Thorpe, JF Stanton Molecular Physics, e1742936, 2020 | 5 | 2020 |
LE AS DOI JH Thorpe, JL Kilburn, D Feller, PB Changala, DH Bross, B Ruscic, ... | 1 | 1972 |
STEALING IDEAS FROM ELECTRONIC STRUCTURE THEORY TO IMPROVE VIBRATIONAL CALCULATIONS. PART I-THE HAMILTONIAN JH Thorpe International Symposium on Molecular Spectroscopy, 2023 | | 2023 |
An interesting case of symmetry breaking in the absence of symmetry: the bicarbonate radical (HCO3) R Rana, JH Thorpe, JF Stanton Molecular Physics 121 (11-12), e2144518, 2023 | | 2023 |
Sub Twenty Wavenumber Computational Prediction Of Molecular Bond Energies And The Intriguing Bde Of\textf2 JH Thorpe International Symposium on Molecular Spectroscopy, 2022 | | 2022 |
Assigning the Complicated Dispersed Fluorescence Spectrum of PhCCCN JH Thorpe, KM Jawad, TS Zwier, JF Stanton 2021 International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
Isomer specific ion-molecule reactions P Schmid, J Greenberg, TL Nguyen, J Thorpe, K Catani, O Krohn, M Miller, ... APS March Meeting Abstracts 2021, V26. 002, 2021 | | 2021 |
Thermal Decomposition of Methyl Acetate (CH_3COOCH_3) in a Flash-Pyrolysis Micro-Reactor JP Porterfield, DH Bross, B Ruscic, JH Thorpe, TL Nguyen, JH Baraban, ... 72nd International Symposium on Molecular Spectroscopy, RJ05, 2017 | | 2017 |
Applications of ‘Iterative’Natural Orbitals Z Freeman, J Thorpe, J Stanton | | |
“KS-HEAT” part I: construction of a recipe targeting “semi-spectroscopic” accuracy JH Thorpe, JL Kilburn, D Feller, P Bryan, DH Changala, B Ruscic, ... | | |