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
available at ATcT. anl. gov, 2019
2082019
Explicitly correlated composite thermochemistry of transition metal species
DH Bross, JG Hill, HJ Werner, KA Peterson
The Journal of chemical physics 139 (9), 094302, 2013
762013
Correlation consistent, Douglas–Kroll–Hess relativistic basis sets for the 5 p and 6 p elements
DH Bross, KA Peterson
Thom H. Dunning, Jr., 19-30, 2015
552015
Composite thermochemistry of gas phase U (VI)-containing molecules
DH Bross, KA Peterson
The Journal of chemical physics 141 (24), 244308, 2014
282014
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), 224102, 2019
272019
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
272017
Enthalpy of Formation of N2H4 (Hydrazine) Revisited
D Feller, DH Bross, B Ruscic
The Journal of Physical Chemistry A 121 (32), 6187-6198, 2017
192017
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
162018
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
142017
Thermochemistry
B Ruscic, DH Bross
Computer Aided Chemical Engineering 45, 3-114, 2019
132019
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
122017
Active Thermochemical Tables (ATcT) values based on ver. 1.122 of the Thermochemical Network, 2016, available at ATcT. anl. gov
B Ruscic, DH Bross
This article is licensed under a Creative Commons Attribution 3, 0
12
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), 184313, 2015
102015
Active Thermochemical Tables (ATcT) values based on ver. 1.122 p of the Thermochemical Network (2020)
B Ruscic, DH Bross
ATcT. anl. gov (accessed 2020), 2020
92020
Toward accurate high temperature anharmonic partition functions
DH Bross, AW Jasper, B Ruscic, AF Wagner
Proceedings of the Combustion Institute 37 (1), 315-322, 2019
82019
Active Thermochemical Tables (ATcT) values based on version 1.118 of the Thermochemical Network, 2015
B Ruscic
available at ATcT. anl. gov, 2016
72016
ATcT Enthalpies of Formation based on Version 1.1. 122d of the Thermochemical Network
B Ruscic, DH Bross
available at ATcT. anl. gov, 2018
62018
Active Thermochemical Tables (ATcT) values based on ver. 1.122 g of the Thermochemical Network, Argonne National Laboratory, 2019
B Ruscic, DH Bross
available at ATcT. anl. gov, 0
6
Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach
D Feller, DH Bross, B Ruscic
The Journal of Physical Chemistry A 123 (16), 3481-3496, 2019
42019
A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO
SK Roy, T Jian, GV Lopez, WL Li, J Su, DH Bross, KA Peterson, LS Wang, ...
The Journal of chemical physics 144 (8), 084309, 2016
42016
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