David H. Bross
Affiliations: | 2010-2015 | Chemistry | Washington State University, Pullman, WA, United States |
| 2015- | Argonne National Laboratory, Lemont, IL, United States |
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Publications
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| Bross DH, Bacskay GB, Peterson KA, et al. (2023) Active Thermochemical Tables: Enthalpies of Formation of Bromo- and Iodo-Methanes, Ethenes and Ethynes. The Journal of Physical Chemistry. A. 127: 704-723 |
| Thorpe JH, Kilburn JL, Feller D, et al. (2021) Elaborated thermochemical treatment of HF, CO, N, and HO: Insight into HEAT and its extensions. The Journal of Chemical Physics. 155: 184109 |
| Battey SR, Bross DH, Peterson KA, et al. (2020) Spectroscopic and theoretical studies of UN and UN+ The Journal of Chemical Physics. 152: 094302 |
| Welch BK, Dawes R, Bross DH, et al. (2019) An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families. The Journal of Physical Chemistry. A |
| Thorpe JH, Lopez CA, Nguyen TL, et al. (2019) High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency. The Journal of Chemical Physics. 150: 224102 |
| Bross DH, Yu HG, Harding LB, et al. (2019) Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CHOH) Revisited. The Journal of Physical Chemistry. A |
| Feller DF, Bross DH, Ruscic B. (2019) Enthalpy of Formation of CHO (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach. The Journal of Physical Chemistry. A |
| Nguyen TL, Thorpe JH, Bross DH, et al. (2018) Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study. The Journal of Physical Chemistry Letters |
| Changala PB, Nguyen TL, Baraban JH, et al. (2017) Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide. The Journal of Physical Chemistry. A |
| Feller D, Bross DH, Ruscic B. (2017) Enthalpy of Formation of NH(Hydrazine) Revisited. The Journal of Physical Chemistry. A. 121: 6187-6198 |