| Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions Y Kim, JC Corchado, J Villa, J Xing, DG Truhlar The Journal of Chemical Physics 112 (6), 2718-2735, 2000 | 191 | 2000 |
| Formation of Triboelectric Series via Atomic-Level Surface Functionalization for Triboelectric Energy Harvesting SH Shin, YE Bae, HK Moon, J Kim, SH Choi, Y Kim, HJ Yoon, MH Lee, ... ACS nano 11 (6), 6131-6138, 2017 | 185 | 2017 |
| Direct dynamics calculation for the double proton transfer in formic acid dimer Y Kim Journal of the American Chemical Society 118 (6), 1522-1528, 1996 | 184 | 1996 |
| An experimentally based family of potential energy surfaces for hydride transfer between NAD+ analogs Y Kim, DG Truhlar, MM Kreevoy Journal of the American Chemical Society 113 (21), 7837-7847, 1991 | 117 | 1991 |
| The experimental manifestations of corner-cutting tunneling Y Kim, MM Kreevoy Journal of the American Chemical Society 114 (18), 7116-7123, 1992 | 110 | 1992 |
| Theoretical study for solvent effect on the potential energy surface for the double proton transfer in formic acid dimer and formamidine dimer JH Lim, EK Lee, Y Kim The Journal of Physical Chemistry A 101 (12), 2233-2239, 1997 | 95 | 1997 |
| Asymmetric double proton transfer of excited 1: 1 7-azaindole/alcohol complexes with anomalously large and temperature-independent kinetic isotope effects OH Kwon, YS Lee, HJ Park, Y Kim Angewandte Chemie-International Edition 43 (43), 5792-5796, 2004 | 84 | 2004 |
| The Role of a Short and Strong Hydrogen Bond on the Double Proton Transfer in the Formamidine− Formic Acid Complex: Theoretical Studies in the Gas Phase and in Solution Y Kim, S Lim, Y Kim The Journal of Physical Chemistry A 103 (33), 6632-6637, 1999 | 75 | 1999 |
| Determination of spin inversion probability, H-tunneling correction, and regioselectivity in the two-state reactivity of nonheme iron (IV)-oxo complexes YH Kwon, BK Mai, YM Lee, SN Dhuri, D Mandal, KB Cho, Y Kim, S Shaik, ... The Journal of Physical Chemistry Letters 6 (8), 1472-1476, 2015 | 72 | 2015 |
| Free-energy surfaces for liquid-phase reactions and their use to study the border between concerted and nonconcerted α, β-elimination reactions of esters and thioesters Y Kim, JR Mohrig, DG Truhlar Journal of the American Chemical Society 132 (32), 11071-11082, 2010 | 72 | 2010 |
| Theoretical Studies for Lewis Acid−Base Interactions and C−H···O Weak Hydrogen Bonding in Various CO2 Complexes KH Kim, Y Kim The Journal of Physical Chemistry A 112 (7), 1596-1603, 2008 | 68 | 2008 |
| Catalytic roles of water protropic species in the tautomerization of excited 6-hydroxyquinoline: Migration of hydrated proton clusters TG Kim, Y Kim, DJ Jang The Journal of Physical Chemistry A 105 (17), 4328-4332, 2001 | 65 | 2001 |
| Theoretical study of the double proton transfer in hydrogen-bonded complexes in the gas phase and in solution: prototropic tautomerization of formamide Y Kim, S Lim, HJ Kim, Y Kim The Journal of Physical Chemistry A 103 (5), 617-624, 1999 | 60 | 1999 |
| Steric Effects and Solvent Effects on SN2 Reactions Y Kim, CJ Cramer, DG Truhlar The Journal of Physical Chemistry A 113 (32), 9109-9114, 2009 | 46 | 2009 |
| Dynamics and kinetic isotope effect for the double proton transfer in formamidine monohydrated complex using direct semiempirical dynamics calculation Y Kim The Journal of Physical Chemistry A 102 (18), 3025-3036, 1998 | 40 | 1998 |
| Excited-State Tautomerization in the 7-Azaindole-(H2O)n (n = 1 and 2) Complexes in the Gas Phase and in Solution: A Theoretical Study H Fang, Y Kim Journal of Chemical Theory and Computation 7 (3), 642-657, 2011 | 39 | 2011 |
| Is it Fe (III)-oxyl radical that abstracts hydrogen in the C–H activation of TauD? A theoretical study based on the DFT potential energy surfaces BK Mai, Y Kim Inorganic Chemistry 55 (8), 3844-3852, 2016 | 38 | 2016 |
| Characterization and photophysical properties of sulfur-oxidized diarylethenes YC Jeong, JP Han, Y Kim, E Kim, SI Yang, KH Ahn Tetrahedron 63 (15), 3173-3182, 2007 | 37 | 2007 |
| Unusually Large Tunneling Effect on the Proton Transfer of Aqueous 7-Hydroxyquinoline TG Kim, SI Lee, DJ Jang, Y Kim The Journal of Physical Chemistry 99 (34), 12698-12700, 1995 | 37 | 1995 |
| Proton transfer dependence on hydrogen-bonding of solvent to the water wire: A theoretical study BK Mai, K Park, MPT Duong, Y Kim The Journal of Physical Chemistry B 117 (1), 307-315, 2013 | 28 | 2013 |
Donald TruhlarUniversity of MinnesotaVerified email at umn.edu
