| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3202 | 2015 |
| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 3007 | 2006 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 838 | 2021 |
| Nitrogen fixation by Ru single-atom electrocatalytic reduction H Tao, C Choi, LX Ding, Z Jiang, Z Han, M Jia, Q Fan, Y Gao, H Wang, ... Chem 5 (1), 204-214, 2019 | 827 | 2019 |
| On the mechanism of enhanced oxygen reduction reaction in nitrogen-doped graphene nanoribbons H Kim, K Lee, SI Woo, Y Jung Physical Chemistry Chemical Physics 13 (39), 17505-17510, 2011 | 752 | 2011 |
| On the theory of organic catalysis “on water” Y Jung, RA Marcus Journal of the American Chemical Society 129 (17), 5492-5502, 2007 | 745 | 2007 |
| Strengthening effect of single-atomic-layer graphene in metal–graphene nanolayered composites Y Kim, J Lee, MS Yeom, JW Shin, H Kim, Y Cui, JW Kysar, J Hone, Y Jung, ... Nature communications 4 (1), 2114, 2013 | 717 | 2013 |
| Scaled opposite-spin second order Møller–Plesset correlation energy: An economical electronic structure method Y Jung, RC Lochan, AD Dutoi, M Head-Gordon The Journal of chemical physics 121 (20), 9793-9802, 2004 | 616 | 2004 |
| Suppression of Hydrogen Evolution Reaction in Electrochemical N2 Reduction Using Single-Atom Catalysts: A Computational Guideline C Choi, S Back, NY Kim, J Lim, YH Kim, Y Jung Acs Catalysis 8 (8), 7517-7525, 2018 | 611 | 2018 |
| Unprecedented high-temperature CO2 selectivity in N2-phobic nanoporous covalent organic polymers HA Patel, S Hyun Je, J Park, DP Chen, Y Jung, CT Yavuz, A Coskun Nature communications 4 (1), 1357, 2013 | 545 | 2013 |
| Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO S Back, MS Yeom, Y Jung Acs Catalysis 5 (9), 5089-5096, 2015 | 540 | 2015 |
| Single-atom catalysts for CO 2 electroreduction with significant activity and selectivity improvements S Back, J Lim, NY Kim, YH Kim, Y Jung Chemical science 8 (2), 1090-1096, 2017 | 509 | 2017 |
| The high performance of crystal water containing manganese birnessite cathodes for magnesium batteries KW Nam, S Kim, S Lee, M Salama, I Shterenberg, Y Gofer, JS Kim, ... Nano letters 15 (6), 4071-4079, 2015 | 474 | 2015 |
| Na2FeP2O7 as a promising iron‐based pyrophosphate cathode for sodium rechargeable batteries: a combined experimental and theoretical study H Kim, RA Shakoor, C Park, SY Lim, JS Kim, YN Jo, W Cho, K Miyasaka, ... Advanced Functional Materials 23 (9), 1147-1155, 2013 | 376 | 2013 |
| Electrochemical and thermal properties of NASICON structured Na3V2 (PO4) 3 as a sodium rechargeable battery cathode: a combined experimental and theoretical study SY Lim, H Kim, RA Shakoor, Y Jung, JW Choi Journal of The Electrochemical Society 159 (9), A1393, 2012 | 365 | 2012 |
| Entropy and the driving force for the filling of carbon nanotubes with water TA Pascal, WA Goddard, Y Jung Proceedings of the National Academy of Sciences 108 (29), 11794-11798, 2011 | 357 | 2011 |
| Inverse design of solid-state materials via a continuous representation J Noh, J Kim, HS Stein, B Sanchez-Lengeling, JM Gregoire, ... Matter 1 (5), 1370-1384, 2019 | 326 | 2019 |
| Two-dimensional transition metal dichalcogenide monolayers as promising sodium ion battery anodes E Yang, H Ji, Y Jung The Journal of Physical Chemistry C 119 (47), 26374-26380, 2015 | 325 | 2015 |
| Intermolecular π-to-π bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical … D Small, V Zaitsev, Y Jung, SV Rosokha, M Head-Gordon, JK Kochi Journal of the American Chemical Society 126 (42), 13850-13858, 2004 | 320 | 2004 |
| Electrochemical ammonia synthesis: mechanistic understanding and catalyst design H Shen, C Choi, J Masa, X Li, J Qiu, Y Jung, Z Sun Chem 7 (7), 1708-1754, 2021 | 317 | 2021 |
