Ewa Papajak

发表

Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZ.

Hannah R. Leverentz, D. Truhlar, Jingjing Zheng, 2009, Journal of chemical theory and computation.

Efficient Diffuse Basis Sets for Density Functional Theory.

D. Truhlar, Ewa Papajak, E. Papajak, 2010, Journal of chemical theory and computation.

Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)

J. Zádor, O. Welz, A. Eskola, 2015, Science.

Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal.

D. Truhlar, Xuefei Xu, Ewa Papajak, 2012, The Journal of chemical physics.

What are the most efficient basis set strategies for correlated wave function calculations of reaction energies and barrier heights?

D. Truhlar, Ewa Papajak, E. Papajak, 2012, The Journal of chemical physics.

Perspectives on Basis Sets Beautiful: Seasonal Plantings of Diffuse Basis Functions.

Donald G Truhlar, Jingjing Zheng, Hannah R Leverentz, 2011, Journal of chemical theory and computation.

Pressure-Dependent Competition among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran.

J. Zádor, D. Osborn, C. Taatjes, 2016, The journal of physical chemistry. A.

Mechanism of the reaction catalyzed by DL-2-haloacid dehalogenase as determined from kinetic isotope effects.

P. Paneth, R. Kamiński, N. Esaki, 2006, Biochemistry.

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 anharmonicity.

D. Truhlar, Xuefei Xu, Tao Yu, 2012, The journal of physical chemistry. A.

Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal.

D. Truhlar, Tao Yu, Ewa Papajak, 2012, The Journal of chemical physics.

Erratum to "Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZ". [J. Chem. Theory Comput. 5, 1197-1202 (2009)].

D. Truhlar, Jingjing Zheng, H. Leverentz, 2009 .

Convergent Partially Augmented Basis Sets for Post-Hartree-Fock Calculations of Molecular Properties and Reaction Barrier Heights.

D. Truhlar, Ewa Papajak, E. Papajak, 2011, Journal of chemical theory and computation.