Active Thermochemical Tables (ATcT) values based on ver. 1.122 of the Thermochemical Network B Ruscic, DH Bross Argonne National Laboratory, 2019 | 470 | 2019 |
Explicitly correlated composite thermochemistry of transition metal species DH Bross, JG Hill, HJ Werner, KA Peterson The Journal of chemical physics 139 (9), 2013 | 98 | 2013 |
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 | 91 | 2015 |
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 | 86 | 2019 |
Thermochemistry B Ruscic, DH Bross Computer aided chemical engineering 45, 3-114, 2019 | 57 | 2019 |
Composite thermochemistry of gas phase U (VI)-containing molecules DH Bross, KA Peterson The Journal of chemical physics 141 (24), 2014 | 42 | 2014 |
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 | 41 | 2021 |
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 | 40 | 2017 |
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 | 40 | 2017 |
Enthalpy of Formation of N2H4 (Hydrazine) Revisited D Feller, DH Bross, B Ruscic The Journal of Physical Chemistry A 121 (32), 6187-6198, 2017 | 38 | 2017 |
Active Thermochemical Tables (ATcT) values based on version 1.122 of the Thermochemical Network B Ruscic, DH Bross available at ATcT. anl. gov, 2016 | 33 | 2016 |
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 | 26 | 2021 |
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 | 25 | 2017 |
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 | 23 | 2015 |
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 | 22 | 2018 |
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 | 21 | 2021 |
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 | 17 | 2020 |
Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom DH Bross, P Parmar, KA Peterson The Journal of chemical physics 143 (18), 2015 | 16 | 2015 |
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 | 15 | 2023 |
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 | 15 | 2021 |