| Perspectives on basis sets beautiful: Seasonal plantings of diffuse basis functions E Papajak, J Zheng, X Xu, HR Leverentz, DG Truhlar Journal of chemical theory and computation 7 (10), 3027-3034, 2011 | 743 | 2011 |
| Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZ E Papajak, HR Leverentz, J Zheng, DG Truhlar Journal of chemical theory and computation 5 (5), 1197-1202, 2009 | 307 | 2009 |
| Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation J Zheng, T Yu, E Papajak, IM Alecu, SL Mielke, DG Truhlar Physical Chemistry Chemical Physics 13 (23), 10885-10907, 2011 | 262 | 2011 |
| Convergent partially augmented basis sets for post-hartree− fock calculations of molecular properties and reaction barrier heights E Papajak, DG Truhlar Journal of chemical theory and computation 7 (1), 10-18, 2011 | 255 | 2011 |
| Efficient diffuse basis sets for density functional theory E Papajak, DG Truhlar Journal of chemical theory and computation 6 (3), 597-601, 2010 | 186 | 2010 |
| Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH) JD Savee, E Papajak, B Rotavera, H Huang, AJ Eskola, O Welz, L Sheps, ... Science 347 (6222), 643-646, 2015 | 170 | 2015 |
| What are the most efficient basis set strategies for correlated wave function calculations of reaction energies and barrier heights? E Papajak, DG Truhlar The Journal of Chemical Physics 137 (6), 2012 | 90 | 2012 |
| Kinetics of the hydrogen abstraction from carbon-3 of 1-butanol by hydroperoxyl radical: Multi-structural variational transition-state calculations of a reaction with 262 … P Seal, E Papajak, DG Truhlar The journal of physical chemistry letters 3 (2), 264-271, 2012 | 76 | 2012 |
| Pressure-Dependent Competition among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran IO Antonov, J Zádor, B Rotavera, E Papajak, DL Osborn, CA Taatjes, ... The Journal of Physical Chemistry A 120 (33), 6582-6595, 2016 | 55 | 2016 |
| Products of Criegee intermediate reactions with NO 2: experimental measurements and tropospheric implications RL Caravan, MAH Khan, B Rotavera, E Papajak, IO Antonov, MW Chen, ... Faraday Discussions 200, 313-330, 2017 | 54 | 2017 |
| Phase space prediction of product branching ratios: canonical competitive nonstatistical model J Zheng, E Papajak, DG Truhlar Journal of the American Chemical Society 131 (43), 15754-15760, 2009 | 53 | 2009 |
| Biofuel Combustion. Energetics and Kinetics of Hydrogen Abstraction from Carbon-1 in n-Butanol by the Hydroperoxyl Radical Calculated by Coupled Cluster and … IM Alecu, J Zheng, E Papajak, T Yu, DG Truhlar The Journal of Physical Chemistry A 116 (50), 12206-12213, 2012 | 52 | 2012 |
| Multi-structural variational transition state theory: kinetics of the 1, 5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional … X Xu, E Papajak, J Zheng, DG Truhlar Physical chemistry chemical physics 14 (12), 4204-4216, 2012 | 38 | 2012 |
| Multistructural variational transition state theory: Kinetics of the hydrogen abstraction from carbon-2 of 2-methyl-1-propanol by hydroperoxyl radical including all structures … X Xu, T Yu, E Papajak, DG Truhlar The Journal of Physical Chemistry A 116 (43), 10480-10487, 2012 | 28 | 2012 |
| Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal P Seal, E Papajak, T Yu, DG Truhlar The Journal of Chemical Physics 136 (3), 2012 | 23 | 2012 |
| Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal E Papajak, P Seal, X Xu, DG Truhlar The Journal of Chemical Physics 137 (10), 2012 | 21 | 2012 |
| Mechanism of the Reaction Catalyzed by dl-2-Haloacid Dehalogenase As Determined from Kinetic Isotope Effects E Papajak, RA Kwiecień, J Rudziński, D Sicińska, R Kamiński, ... Biochemistry 45 (19), 6012-6017, 2006 | 21 | 2006 |
| Proton Abstraction from DMEn···X+ by OH–, O2–, and XO2–, for X = Li, Na, and K: Implications for Li–O2 Batteries CW Bauschlicher Jr, E Papajak, JB Haskins, JW Lawson The Journal of Physical Chemistry A 123 (23), 4942-4947, 2019 | 3 | 2019 |
| Electronic structure calculations of NO potential curves and associative ionization (AI) cross sections and their impact on atmospheric entry modeling E Papajak, DW Schwenke, W Huo, R Jaffe APS Annual Gaseous Electronics Meeting Abstracts, FW4. 005, 2023 | 2 | 2023 |
| Improved chemistry and attenuation in plasma models for communication blackout simulation during Mars 2020 entry E Papajak, T Hedges, C Naughton, D Saunders AIAA SCITECH 2024 Forum, 1647, 2024 | 1 | 2024 |