@article{braley_kwon_xu_dalton_jakubikova_smith_2022, title={Buffer Assists Electrocatalytic Nitrite Reduction by a Cobalt Macrocycle Complex}, volume={8}, ISSN={["1520-510X"]}, DOI={10.1021/acs.inorgchem.2c00909}, journal={INORGANIC CHEMISTRY}, author={Braley, Sarah E. and Kwon, Hyuk-Yong and Xu, Song and Dalton, Evan Z. and Jakubikova, Elena and Smith, Jeremy M.}, year={2022}, month={Aug} } @article{morrow_kwon_kelley_jakubikova_2021, title={Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation}, volume={17}, ISSN={["1549-9626"]}, url={https://doi.org/10.1021/acs.jctc.1c00569}, DOI={10.1021/acs.jctc.1c00569}, number={9}, journal={JOURNAL OF CHEMICAL THEORY AND COMPUTATION}, publisher={American Chemical Society (ACS)}, author={Morrow, Zachary and Kwon, Hyuk-Yong and Kelley, C. T. and Jakubikova, Elena}, year={2021}, month={Sep}, pages={5673–5683} } @article{kwon_braley_madriaga_smith_jakubikova_2021, title={Electrocatalytic nitrate reduction with Co-based catalysts: comparison of DIM, TIM and cyclam ligands}, volume={8}, ISSN={["1477-9234"]}, DOI={10.1039/d1dt02175c}, journal={DALTON TRANSACTIONS}, author={Kwon, Hyuk-Yong and Braley, Sarah E. and Madriaga, Jose P. and Smith, Jeremy M. and Jakubikova, Elena}, year={2021}, month={Aug} } @article{kwon_ashley_jakubikova_2021, title={Halogenation affects driving forces, reorganization energies and "rocking" motions in strained [Fe(tpy)(2)](2+) complexes}, volume={9}, ISSN={["1477-9234"]}, DOI={10.1039/d1dt02314d}, journal={DALTON TRANSACTIONS}, author={Kwon, Hyuk-Yong and Ashley, Daniel C. and Jakubikova, Elena}, year={2021}, month={Sep} } @article{kwon_morrow_kelley_jakubikova_2021, title={Interpolation Methods for Molecular Potential Energy Surface Construction}, volume={125}, ISSN={["1520-5215"]}, url={https://doi.org/10.1021/acs.jpca.1c06812}, DOI={10.1021/acs.jpca.1c06812}, number={45}, journal={JOURNAL OF PHYSICAL CHEMISTRY A}, publisher={American Chemical Society (ACS)}, author={Kwon, Hyuk-Yong and Morrow, Zachary and Kelley, C. T. and Jakubikova, Elena}, year={2021}, month={Nov}, pages={9725–9735} } @article{morrow_kwon_kelley_jakubikova_2021, title={Reduced-dimensional surface hopping with offline-online computations}, volume={8}, ISSN={["1463-9084"]}, url={https://doi.org/10.1039/D1CP03446D}, DOI={10.1039/d1cp03446d}, journal={PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, publisher={Royal Society of Chemistry (RSC)}, author={Morrow, Zachary and Kwon, Hyuk-Yong and Kelley, C. T. and Jakubikova, Elena}, year={2021}, month={Aug} } @article{xu_kwon_ashley_chen_jakubikova_smith_2019, title={Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions}, volume={58}, ISSN={["1520-510X"]}, DOI={10.1021/acs.inorgchem.9b01274}, number={14}, journal={INORGANIC CHEMISTRY}, author={Xu, Song and Kwon, Hyuk-Yong and Ashley, Daniel C. and Chen, Chun-Hsing and Jakubikova, Elena and Smith, Jeremy M.}, year={2019}, month={Jul}, pages={9443–9451} } @article{xu_ashley_kwon_ware_chen_losovyj_gao_jakubikova_smith_2018, title={A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex}, volume={9}, ISSN={["2041-6539"]}, DOI={10.1039/c8sc00721g}, number={22}, journal={CHEMICAL SCIENCE}, author={Xu, Song and Ashley, Daniel C. and Kwon, Hyuk-Yong and Ware, Gabrielle R. and Chen, Chun-Hsing and Losovyj, Yaroslav and Gao, Xinfeng and Jakubikova, Elena and Smith, Jeremy M.}, year={2018}, month={Jun}, pages={4950–4958} }