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David H. Bross - Publications

Affiliations: 
2010-2015 Chemistry Washington State University, Pullman, WA, United States 
 2015- Argonne National Laboratory, Lemont, IL, United States 
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17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Bross DH, Bacskay GB, Peterson KA, Ruscic B. Active Thermochemical Tables: Enthalpies of Formation of Bromo- and Iodo-Methanes, Ethenes and Ethynes. The Journal of Physical Chemistry. A. 127: 704-723. PMID 36635235 DOI: 10.1021/acs.jpca.2c07897  0.489
2021 Thorpe JH, Kilburn JL, Feller D, Changala PB, Bross DH, Ruscic B, Stanton JF. Elaborated thermochemical treatment of HF, CO, N, and HO: Insight into HEAT and its extensions. The Journal of Chemical Physics. 155: 184109. PMID 34773951 DOI: 10.1063/5.0069322  0.358
2020 Battey SR, Bross DH, Peterson KA, Persinger TD, VanGundy RA, Heaven MC. Spectroscopic and theoretical studies of UN and UN+ The Journal of Chemical Physics. 152: 094302. DOI: 10.1063/1.5144299  0.546
2019 Welch BK, Dawes R, Bross DH, Ruscic B. An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families. The Journal of Physical Chemistry. A. PMID 31244124 DOI: 10.1021/Acs.Jpca.9B04381  0.401
2019 Thorpe JH, Lopez CA, Nguyen TL, Baraban JH, Bross DH, Ruscic B, Stanton JF. High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency. The Journal of Chemical Physics. 150: 224102. PMID 31202223 DOI: 10.1063/1.5095937  0.397
2019 Bross DH, Yu HG, Harding LB, Ruscic B. Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CHOH) Revisited. The Journal of Physical Chemistry. A. PMID 30998012 DOI: 10.1021/Acs.Jpca.9B02295  0.423
2019 Feller DF, Bross DH, Ruscic B. Enthalpy of Formation of CHO (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach. The Journal of Physical Chemistry. A. PMID 30901227 DOI: 10.1021/Acs.Jpca.8B12329  0.374
2018 Nguyen TL, Thorpe JH, Bross DH, Ruscic B, Stanton JF. Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study. The Journal of Physical Chemistry Letters. PMID 29697985 DOI: 10.1021/Acs.Jpclett.8B01259  0.499
2017 Changala PB, Nguyen TL, Baraban JH, Ellison GB, Stanton JF, Bross DH, Ruscic B. Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide. The Journal of Physical Chemistry. A. PMID 28877582 DOI: 10.1021/Acs.Jpca.7B06221  0.43
2017 Feller D, Bross DH, Ruscic B. Enthalpy of Formation of NH(Hydrazine) Revisited. The Journal of Physical Chemistry. A. 121: 6187-6198. PMID 28727457 DOI: 10.1021/Acs.Jpca.7B06017  0.353
2017 Chang YC, Xiong B, Bross DH, Ruscic B, Ng CY. A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH4): determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH4 and CH4(). Physical Chemistry Chemical Physics : Pccp. PMID 28345688 DOI: 10.1039/C6Cp08200A  0.316
2016 Roy SK, Jian T, Lopez GV, Li WL, Su J, Bross DH, Peterson KA, Wang LS, Li J. A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(.). The Journal of Chemical Physics. 144: 084309. PMID 26931704 DOI: 10.1063/1.4942188  0.647
2015 Bross DH, Peterson KA. Theoretical spectroscopy study of the low-lying electronic states of UX and UX(+), X = F and Cl. The Journal of Chemical Physics. 143: 184313. PMID 26567668 DOI: 10.1063/1.4935492  0.682
2015 Bross DH, Parmar P, Peterson KA. Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom. The Journal of Chemical Physics. 143: 184308. PMID 26567663 DOI: 10.1063/1.4935375  0.645
2014 Bross DH, Peterson KA. Composite thermochemistry of gas phase U(VI)-containing molecules. The Journal of Chemical Physics. 141: 244308. PMID 25554152 DOI: 10.1063/1.4904721  0.64
2014 Bross DH, Peterson KA. Correlation consistent, douglas-kroll-hess relativistic basis sets for the 5p and 6p elements Theoretical Chemistry Accounts. 133: 1-12. DOI: 10.1007/S00214-013-1434-9  0.592
2013 Bross DH, Hill JG, Werner HJ, Peterson KA. Explicitly correlated composite thermochemistry of transition metal species. The Journal of Chemical Physics. 139: 094302. PMID 24028112 DOI: 10.1063/1.4818725  0.634
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