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Naeiji P, Woo TK, Alavi S, et al. (2019) Molecular Dynamic Simulations of Clathrate Hydrate Anomalous Preservation: The Effect of Coating Clathrate Hydrate Phases The Journal of Physical Chemistry C. 123: 28715-28725 |
Krykunov M, Woo TK. (2018) Bond type restricted property weighted radial distribution functions for accurate machine learning prediction of atomization energies. Journal of Chemical Theory and Computation |
Dureckova H, Woo TK, Udachin KA, et al. (2017) The anomalous halogen bonding interactions between chlorine and bromine with water in clathrate hydrates. Faraday Discussions |
Dureckova H, Woo TK, Alavi S. (2016) Molecular simulations and density functional theory calculations of bromine in clathrate hydrate phases. The Journal of Chemical Physics. 144: 044501 |
Monyoncho EA, Steinmann SN, Michel C, et al. (2016) Ethanol Electro-oxidation on Palladium Revisited Using Polarization Modulation Infrared Reflection Absorption Spectroscopy (PM-IRRAS) and Density Functional Theory (DFT): Why Is It Difficult To Break the C–C Bond? Acs Catalysis. 6: 4894-4906 |
Mullangi D, Dhavale V, Shalini S, et al. (2016) Low-Overpotential Electrocatalytic Water Splitting with Noble-Metal-Free Nanoparticles Supported in a sp3 N-Rich Flexible COF Advanced Energy Materials |
Dureckova H, Woo TK, Alavi S, et al. (2015) Molecular dynamics simulation of halogen bonding in Cl2, BrCl, and mixed Cl2/Br2 clathrate hydrates Canadian Journal of Chemistry. 93: 864-873 |
Fernandez M, Trefiak NR, Woo TK. (2013) Atomic property weighted radial distribution functions descriptors of metal-organic frameworks for the prediction of gas uptake capacity Journal of Physical Chemistry C. 117: 14095-14105 |
Li J, Pandelieva AT, Rowley CN, et al. (2012) Importance of secondary interactions in twisted doubly hydrogen bonded complexes. Organic Letters. 14: 5772-5 |
Nohra M, Woo TK, Alavi S, et al. (2012) Molecular dynamics Gibbs free energy calculations for CO2 capture and storage in structure i clathrate hydrates in the presence of SO 2, CH4, N2, and H2S impurities Journal of Chemical Thermodynamics. 44: 5-12 |