| 1 |
Effects of Surfactant Charge and Molecular Structure on Wettability Alteration of Calcite: Insights from Molecular Dynamics Simulations
Kubelka J, Bai SX, Piri M
Journal of Physical Chemistry B, 125(4), 1293, 2021 |
| 2 |
Atomistic Molecular Dynamics Simulations of Surfactant-Induced Wettability Alteration in Crevices of Calcite Nanopores
Bai SX, Kubelka J, Piri M
Energy & Fuels, 34(3), 3135, 2020 |
| 3 |
A positively charged calcite surface model for molecular dynamics studies of wettability alteration
Bai SX, Kubelka J, Piri M
Journal of Colloid and Interface Science, 569, 128, 2020 |
| 4 |
Solid Parahydrogen Infrared Matrix Isolation and Computational Studies of Li-n-(C2H4)(m) Complexes
Pinelo LF, Klotz ER, Wonderly WR, Paulson LO, Kettwich SC, Kubelka J, Anderson DT
Journal of Physical Chemistry A, 122(4), 985, 2018 |
| 5 |
Effect of Mutations on the Global and Site-Specific Stability and Folding of an Elementary Protein Structural Motif
Lai JK, Kubelka GS, Kubelka J
Journal of Physical Chemistry B, 122(49), 11083, 2018 |
| 6 |
Activation Strain Analysis of S(N)2 Reactions at C, N, O, and F Centers
Kubelka J, Bickelhaupt FM
Journal of Physical Chemistry A, 121(4), 885, 2017 |
| 7 |
Site-Specific Thermodynamic Stability and Unfolding of a de Novo Designed Protein Structural Motif Mapped by C-13 Isotopically Edited IR Spectroscopy
Kubelka GS, Kubelka J
Journal of the American Chemical Society, 136(16), 6037, 2014 |
| 8 |
Insight into the Packing Pattern of beta(2) Fibrils: A Model Study of Glutamic Acid Rich Oligorners with C-13 Isotopic Edited Vibrational Spectroscopy
Chi H, Welch WRW, Kubelka J, Keiderling TA
Biomacromolecules, 14(11), 3880, 2013 |
| 9 |
Effect of Asphaltene Structure on Association and Aggregation Using Molecular Dynamics
Sedghi M, Goual L, Welch W, Kubelka J
Journal of Physical Chemistry B, 117(18), 5765, 2013 |
| 10 |
DFT-Based Simulations of Amide I' IR Spectra of a Small Protein in Solution Using Empirical Electrostatic Map with a Continuum Solvent Model
Welch WRW, Kubelka J
Journal of Physical Chemistry B, 116(35), 10739, 2012 |
