| Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost PC St. John, Y Guan, Y Kim, S Kim, RS Paton Nature communications 11 (1), 2328, 2020 | 195 | 2020 |
| Efficient prediction of reaction paths through molecular graph and reaction network analysis Y Kim, JW Kim, Z Kim, WY Kim Chemical science 9 (4), 825-835, 2018 | 105 | 2018 |
| Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules PC St. John, Y Guan, Y Kim, BD Etz, S Kim, RS Paton Scientific Data 7 (1), 244, 2020 | 69 | 2020 |
| Poly (amide-imide) materials for transparent and flexible displays SD Kim, B Lee, T Byun, IS Chung, J Park, I Shin, NY Ahn, M Seo, Y Lee, ... Science Advances 4 (10), eaau1956, 2018 | 67 | 2018 |
| Universal structure conversion method for organic molecules: from atomic connectivity to three‐dimensional geometry Y Kim, WY Kim Bulletin of the Korean Chemical Society 36 (7), 1769-1777, 2015 | 54 | 2015 |
| Efficient basin-hopping sampling of reaction intermediates through molecular fragmentation and graph theory Y Kim, S Choi, WY Kim Journal of Chemical Theory and Computation 10 (6), 2419-2426, 2014 | 51 | 2014 |
| Feasibility of activation energy prediction of gas‐phase reactions by machine learning S Choi, Y Kim, JW Kim, Z Kim, WY Kim Chemistry–A European Journal 24 (47), 12354-12358, 2018 | 47 | 2018 |
| In-situ hydrogenation of bio-oil/bio-oil phenolic compounds with secondary alcohols over a synthesized mesoporous Ni/CeO2 catalyst H Shafaghat, YF Tsang, JK Jeon, JM Kim, Y Kim, S Kim, YK Park Chemical Engineering Journal 382, 122912, 2020 | 45 | 2020 |
| Prediction of hydroxymethylfurfural yield in glucose conversion through investigation of Lewis acid and organic solvent effects Y Kim, A Mittal, DJ Robichaud, HM Pilath, BD Etz, PC St. John, ... ACS Catalysis 10 (24), 14707-14721, 2020 | 43 | 2020 |
| The facet-dependent enhanced catalytic activity of Pd nanocrystals M Kim, Y Kim, JW Hong, S Ahn, WY Kim, SW Han Chemical communications 50 (67), 9454-9457, 2014 | 43 | 2014 |
| Computational searching for new stable graphyne structures and their electronic properties H Kim, Y Kim, J Kim, WY Kim Carbon 98, 404-410, 2016 | 40 | 2016 |
| Bicyclic bridgehead phosphoramidite (briphos) ligands with tunable π-acceptor ability and catalytic activity in the rhodium-catalyzed conjugate additions A Lee, S Ahn, K Kang, MS Seo, Y Kim, WY Kim, H Kim Organic letters 16 (20), 5490-5493, 2014 | 38 | 2014 |
| Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen K Iisa, Y Kim, KA Orton, DJ Robichaud, R Katahira, MJ Watson, ... Green chemistry 22 (8), 2403-2418, 2020 | 33 | 2020 |
| A perspective on biomass-derived biofuels: From catalyst design principles to fuel properties Y Kim, AE Thomas, DJ Robichaud, K Iisa, PCS John, BD Etz, GM Fioroni, ... Journal of Hazardous Materials 400, 123198, 2020 | 32 | 2020 |
| Isotopic studies for tracking biogenic carbon during co-processing of biomass and vacuum gas oil C Mukarakate, K Orton, Y Kim, S Dell’Orco, CA Farberow, S Kim, ... ACS sustainable chemistry & engineering 8 (7), 2652-2664, 2020 | 17 | 2020 |
| Investigation of structural effects of aromatic compounds on sooting tendency with mechanistic insight into ethylphenol isomers Y Kim, BD Etz, GM Fioroni, CK Hays, PCS John, RA Messerly, S Vyas, ... Proceedings of the Combustion Institute 38 (1), 1143-1151, 2021 | 16 | 2021 |
| Performance of ACE-reaction on 26 organic reactions for fully automated reaction network construction and microkinetic analysis JW Kim, Y Kim, KY Baek, K Lee, WY Kim The Journal of Physical Chemistry A 123 (22), 4796-4805, 2019 | 15 | 2019 |
| Physics-informed graph neural networks for predicting cetane number with systematic data quality analysis Y Kim, J Cho, N Naser, S Kumar, K Jeong, RL McCormick, PCS John, ... Proceedings of the Combustion Institute 39 (4), 4969-4978, 2023 | 12 | 2023 |
| Prediction of homolytic bond dissociation enthalpies for organic molecules at near chemical accuracy with sub-second computational cost PS John, Y Guan, Y Kim, S Kim, R Paton | 10 | 2019 |
| Toward rational design of supported vanadia catalysts of lignin conversion to phenol Y Kim, MA Jabed, DM Price, D Kilin, S Kim Chemical Engineering Journal 446, 136965, 2022 | 9 | 2022 |
Seonah KimAssociate Professor of Chemistry, Colorado State UniversityVerified email at colostate.edu
