검색결과 : 43건
| No. | Article |
|---|---|
| 1 |
Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm Zaleski DP, Sivaramakrishnan R, Weller HR, Seifert NA, Bross DH, Ruscic B, Moore KB, Elliott SN, Copan AV, Harding LB, Klippenstein SJ, Field RW, Prozument K Journal of the American Chemical Society, 143(8), 3124, 2021 |
| 2 |
Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited Bross DH, Yu HG, Harding LB, Ruscic B Journal of Physical Chemistry A, 123(19), 4212, 2019 |
| 3 |
Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach Feller D, Bross DH, Ruscic B Journal of Physical Chemistry A, 123(16), 3481, 2019 |
| 4 |
An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families Welch BK, Dawes R, Bross DH, Ruscic B Journal of Physical Chemistry A, 123(26), 5673, 2019 |
| 5 |
Modeling nitrogen chemistry in combustion Glarborg P, Miller JA, Ruscic B, Klippenstein SJ Progress in Energy and Combustion Science, 67, 31, 2018 |
| 6 |
Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl Butanoate Porterfield JP, Bross DH, Ruscic B, Thorpe JH, Nguyen TL, Baraban JH, Stanton JF, Daily JW, Ellison GB Journal of Physical Chemistry A, 121(24), 4658, 2017 |
| 7 |
An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers Lockhart JPA, Goldsmith CF, Randazzo JB, Ruscic B, Tranter RS Journal of Physical Chemistry A, 121(20), 3827, 2017 |
| 8 |
Ab lnitio Computations and Active Thermochemical Tables Hand in Hand: Heats of Formation of Core Combustion Species Klippenstein SJ, Harding LB, Ruscic B Journal of Physical Chemistry A, 121(35), 6580, 2017 |
| 9 |
Enthalpy of Formation of N2H4 (Hydrazine) Revisited Feller D, Bross DH, Ruscic B Journal of Physical Chemistry A, 121(32), 6187, 2017 |
| 10 |
Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide Changala PB, Nguyen TL, Baraban JH, Ellison GB, Stanton JF, Bross DH, Ruscic B Journal of Physical Chemistry A, 121(46), 8799, 2017 |