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James H. Thorpe
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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
722019
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
542020
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
382017
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
302016
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
212018
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
182021
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
162020
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
62023
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
62021
Hartree-Fock instabilities and the diagonal Born-Oppenheimer correction
JH Thorpe, JF Stanton
Molecular Physics, e1742936, 2020
52020
LE AS DOI
JH Thorpe, JL Kilburn, D Feller, PB Changala, DH Bross, B Ruscic, ...
11972
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, ...
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Articles 1–18