| 1 |
Proton Abstraction from DMEn center dot center dot center dot X+ by OH-, O-2(-), and XO2-, for X = Li, Na, and K: Implications for Li-O-2 Batteries
Bauschlicher CW, Papajak E, Haskins JB, Lawson JW
Journal of Physical Chemistry A, 123(23), 4942, 2019 |
| 2 |
Pressure-Dependent Competition among Reaction Pathways from First- and Second-O-2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran
Antonov IO, Zador J, Rotavera B, Papajak E, Osborn DL, Taatjes CA, Sheps L
Journal of Physical Chemistry A, 120(33), 6582, 2016 |
| 3 |
Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)
Savee JD, Papajak E, Rotavera B, Huang HF, Eskola AJ, Welz O, Sheps L, Taatjes CA, Zador J, Osborn DL
Science, 347(6222), 643, 2015 |
| 4 |
Multistructural Variational Transition State Theory: Kinetics of the Hydrogen Abstraction from Carbon-2 of 2-Methyl-1-propanol by Hydroperoxyl Radical Including All Structures and Torsional Anharnnonicity
Xu XF, Yu T, Papajak E, Truhlar DG
Journal of Physical Chemistry A, 116(43), 10480, 2012 |
| 5 |
Biofuel Combustion. Energetics and Kinetics of Hydrogen Abstraction from Carbon-1 in n-Butanol by the Hydroperoxyl Radical Calculated by Coupled Cluster and Density Functional Theories and Multistructural Variational Transition-State Theory with Multidimensional Tunneling
Alecu IM, Zheng JJ, Papajak E, Yu T, Truhlar DG
Journal of Physical Chemistry A, 116(50), 12206, 2012 |
| 6 |
Phase Space Prediction of Product Branching Ratios: Canonical Competitive Nonstatistical Model
Zheng JJ, Papajak E, Truhlar DG
Journal of the American Chemical Society, 131(43), 15754, 2009 |
