Ewa Papajak

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

Ewa Papajak, Jingjing Zheng, Xuefei Xu et al. · Journal of Chemical Theory and Computation · 2011 · 759 citations

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

Ewa Papajak, Donald G. Truhlar · Journal of Chemical Theory and Computation · 2010 · 269 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

Efficient Diffuse Basis Sets: cc-pV<i>x</i>Z+ and maug-cc-pV<i>x</i>Z

Ewa Papajak, Hannah R. Leverentz, Jingjing Zheng et al. · Journal of Chemical Theory and Computation · 2009 · 257 citations

Efficient Diffuse Basis, Engineering, Physics +14

Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation

Jingjing Zheng, Tao Yu, Ewa Papajak et al. · Physical Chemistry Chemical Physics · 2011 · 240 citations

Engineering, Mechanical Engineering, Harmonic Partition Functions +19

Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)

John D. Savee, Ewa Papajak, Brandon Rotavera et al. · Science · 2015 · 169 citations · Full text

Resonance Stabilization, Radical Emission, Engineering +17