Hyuk-Yong Kwon

Kwon, H.-Y., Curtin, G. M. M., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2023, April 5). Adaptive basis sets for practical quantum computing. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 4. https://doi.org/10.1002/qua.27123

Braley, S. E., Kwon, H.-Y., Xu, S., Dalton, E. Z., Jakubikova, E., & Smith, J. M. (2022, August 10). Buffer Assists Electrocatalytic Nitrite Reduction by a Cobalt Macrocycle Complex. INORGANIC CHEMISTRY, Vol. 8. https://doi.org/10.1021/acs.inorgchem.2c00909

Morrow, Z., Kwon, H.-Y., Kelley, C. T., & Jakubikova, E. (2021). Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17(9), 5673–5683. https://doi.org/10.1021/acs.jctc.1c00569

Kwon, H.-Y., Braley, S. E., Madriaga, J. P., Smith, J. M., & Jakubikova, E. (2021, August 11). Electrocatalytic nitrate reduction with Co-based catalysts: comparison of DIM, TIM and cyclam ligands. DALTON TRANSACTIONS, Vol. 8. https://doi.org/10.1039/d1dt02175c

Kwon, H.-Y., Ashley, D. C., & Jakubikova, E. (2021, September 10). Halogenation affects driving forces, reorganization energies and "rocking" motions in strained [Fe(tpy)(2)](2+) complexes. DALTON TRANSACTIONS, Vol. 9. https://doi.org/10.1039/d1dt02314d

Kwon, H.-Y., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2021). Interpolation Methods for Molecular Potential Energy Surface Construction. JOURNAL OF PHYSICAL CHEMISTRY A, 125(45), 9725–9735. https://doi.org/10.1021/acs.jpca.1c06812

Morrow, Z., Kwon, H.-Y., Kelley, C. T., & Jakubikova, E. (2021, August 19). Reduced-dimensional surface hopping with offline-online computations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 8. https://doi.org/10.1039/d1cp03446d

Xu, S., Kwon, H.-Y., Ashley, D. C., Chen, C.-H., Jakubikova, E., & Smith, J. M. (2019). Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions. INORGANIC CHEMISTRY, 58(14), 9443–9451. https://doi.org/10.1021/acs.inorgchem.9b01274

Xu, S., Ashley, D. C., Kwon, H.-Y., Ware, G. R., Chen, C.-H., Losovyj, Y., … Smith, J. M. (2018). A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex. CHEMICAL SCIENCE, 9(22), 4950–4958. https://doi.org/10.1039/c8sc00721g