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David H Bross
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Active Thermochemical Tables (ATcT) values based on ver. 1.122 of the Thermochemical Network
B Ruscic, DH Bross
Argonne National Laboratory, 2019
4442019
Explicitly correlated composite thermochemistry of transition metal species
DH Bross, JG Hill, HJ Werner, KA Peterson
The Journal of chemical physics 139 (9), 2013
962013
Correlation consistent, Douglas–Kroll–Hess relativistic basis sets for the 5 p and 6 p elements
DH Bross, KA Peterson
Thom H. Dunning, Jr. A Festschrift from Theoretical Chemistry Accounts, 19-30, 2015
862015
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 (22), 2019
772019
Thermochemistry
B Ruscic, DH Bross
Computer aided chemical engineering 45, 3-114, 2019
512019
Active thermochemical tables: The adiabatic ionization energy of hydrogen peroxide
PB Changala, TL Nguyen, JH Baraban, GB Ellison, JF Stanton, DH Bross, ...
The Journal of Physical Chemistry A 121 (46), 8799-8806, 2017
392017
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
392017
Composite thermochemistry of gas phase U (VI)-containing molecules
DH Bross, KA Peterson
The Journal of chemical physics 141 (24), 2014
392014
Enthalpy of Formation of N2H4 (Hydrazine) Revisited
D Feller, DH Bross, B Ruscic
The Journal of Physical Chemistry A 121 (32), 6187-6198, 2017
372017
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
362021
Active Thermochemical Tables (ATcT) values based on version 1.122 of the Thermochemical Network
B Ruscic, DH Bross
available at ATcT. anl. gov, 2016
332016
A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH 4): determination of the appearance energy of methylium from methane with unprecedented …
YC Chang, B Xiong, DH Bross, B Ruscic, CY Ng
Physical Chemistry Chemical Physics 19 (14), 9592-9605, 2017
252017
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
212021
Active Thermochemical Tables (ATcT) values based on ver. 1.122 of the Thermochemical Network, 2016, available at ATcT. anl. gov
B Ruscic, DH Bross
There is no corresponding record for this reference, 2021
212021
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
Theoretical spectroscopy study of the low-lying electronic states of UX and UX+, X= F and Cl
DH Bross, KA Peterson
The Journal of chemical physics 143 (18), 2015
212015
Spectroscopic and Theoretical Studies of UN and UN+
SR Battey, DH Bross, KA Peterson, TD Persinger, RA VanGundy, ...
The Journal of Chemical Physics 152 (9), 2020
152020
Active Thermochemical Tables (ATcT) values based on version 1.122 of the Thermochemical Network (2016)
B Ruscic, DH Bross
available at ATcT. anl. gov, 0
15
Active Thermochemical Tables (ATcT) Values Based on ver. 1.122 q of the Thermochemical Network; Argonne National Laboratory: Lemont, IL, USA, 2021
B Ruscic, DH Bross
available at ATcT. anl. gov, 2023
142023
Active Thermochemical Tables: the thermophysical and thermochemical properties of methyl, CH3, and methylene, CH2, corrected for nonrigid rotor and …
B Ruscic, DH Bross
Molecular Physics 119 (21-22), e1969046, 2021
142021
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Articles 1–20