| Computational study of bond dissociation enthalpies for a large range of native and modified lignins S Kim, SC Chmely, MR Nimlos, YJ Bomble, TD Foust, RS Paton, ... The Journal of Physical Chemistry Letters 2 (22), 2846-2852, 2011 | 421 | 2011 |
| A mechanistic investigation of acid-catalyzed cleavage of aryl-ether linkages: implications for lignin depolymerization in acidic environments MR Sturgeon, S Kim, K Lawrence, RS Paton, SC Chmely, M Nimlos, ... ACS Sustainable Chemistry & Engineering 2 (3), 472-485, 2014 | 388 | 2014 |
| Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases use a copper-oxyl, oxygen-rebound mechanism S Kim, J Ståhlberg, M Sandgren, RS Paton, GT Beckham Proceedings of the National Academy of Sciences 111 (1), 149-154, 2014 | 244 | 2014 |
| 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 | 238 | 2020 |
| Diels–Alder reactivities of strained and unstrained cycloalkenes with normal and inverse-electron-demand dienes: Activation barriers and distortion/interaction analysis F Liu, RS Paton, S Kim, Y Liang, KN Houk Journal of the American Chemical Society 135 (41), 15642-15649, 2013 | 216 | 2013 |
| Bad seeds sprout perilous dynamics: Stochastic thermostat induced trajectory synchronization in biomolecules DJ Sindhikara, S Kim, AF Voter, AE Roitberg Journal of Chemical Theory and Computation 5 (6), 1624-1631, 2009 | 215 | 2009 |
| Crystal structure and computational characterization of the lytic polysaccharide monooxygenase GH61D from the Basidiomycota fungus Phanerochaete chrysosporium M Wu, GT Beckham, AM Larsson, T Ishida, S Kim, CM Payne, ME Himmel, ... Journal of biological chemistry 288 (18), 12828-12839, 2013 | 206 | 2013 |
| Consideration of the aluminum distribution in zeolites in theoretical and experimental catalysis research BC Knott, CT Nimlos, DJ Robichaud, MR Nimlos, S Kim, R Gounder Acs Catalysis 8 (2), 770-784, 2018 | 203 | 2018 |
| Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale DD Das, PCS John, CS McEnally, S Kim, LD Pfefferle Combustion and flame 190, 349-364, 2018 | 167 | 2018 |
| Experimental Diels–Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition‐State Distortion Energies RS Paton, S Kim, AG Ross, SJ Danishefsky, KN Houk Angewandte Chemie 123 (44), 10550-10552, 2011 | 151 | 2011 |
| Structural and electronic snapshots during the transition from a Cu (II) to Cu (I) metal center of a lytic polysaccharide monooxygenase by X-ray photoreduction M Gudmundsson, S Kim, M Wu, T Ishida, MH Momeni, G Vaaje-Kolstad, ... Journal of biological chemistry 289 (27), 18782-18792, 2014 | 133 | 2014 |
| A synthetic recursive “+ 1” pathway for carbon chain elongation RJ Marcheschi, H Li, K Zhang, EL Noey, S Kim, A Chaubey, KN Houk, ... ACS chemical biology 7 (4), 689-697, 2012 | 132 | 2012 |
| 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 | 90 | 2020 |
| Improving biomass pyrolysis economics by integrating vapor and liquid phase upgrading K Iisa, DJ Robichaud, MJ Watson, J ten Dam, A Dutta, C Mukarakate, ... Green chemistry 20 (3), 567-582, 2018 | 68 | 2018 |
| Sooting tendencies of co-optima test gasolines and their surrogates CS McEnally, Y Xuan, PCS John, DD Das, A Jain, S Kim, TA Kwan, ... Proceedings of the Combustion Institute 37 (1), 961-968, 2019 | 63 | 2019 |
| A quantitative model for the prediction of sooting tendency from molecular structure PC St. John, P Kairys, DD Das, CS McEnally, LD Pfefferle, DJ Robichaud, ... Energy & Fuels 31 (9), 9983-9990, 2017 | 62 | 2017 |
| Diffusion of aromatic hydrocarbons in hierarchical mesoporous H-ZSM-5 zeolite L Bu, MR Nimlos, DJ Robichaud, S Kim Catalysis Today 312, 73-81, 2018 | 59 | 2018 |
| Ethanol dehydration in HZSM-5 studied by density functional theory: evidence for a concerted process S Kim, DJ Robichaud, GT Beckham, RS Paton, MR Nimlos The Journal of Physical Chemistry A 119 (15), 3604-3614, 2015 | 57 | 2015 |
| 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 | 47 | 2020 |
| Tailoring diesel bioblendstock from integrated catalytic upgrading of carboxylic acids: a “fuel property first” approach X Huo, NA Huq, J Stunkel, NS Cleveland, AK Starace, AE Settle, AM York, ... Green Chemistry 21 (21), 5813-5827, 2019 | 47 | 2019 |
Robert PatonFixman Ladanyi Professor of Chemistry, Colorado State UniversityPreverjeni e-poštni naslov na colostate.edu
