Seonah Kim
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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
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
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
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
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
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
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
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
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
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
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
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
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
Theoretical studies of short polyproline systems: Recalibration of a molecular ruler
E Dolghih, W Ortiz, S Kim, BP Krueger, JL Krause, AE Roitberg
The Journal of Physical Chemistry A 113 (16), 4639-4646, 2009
Mechanistic study of a Ru-Xantphos catalyst for tandem alcohol dehydrogenation and reductive aryl-ether cleavage
SC Chmely, S Kim, PN Ciesielski, G Jiménez-Osés, RS Paton, ...
ACS Catalysis 3 (5), 963-974, 2013
Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field
S Kim, AM Orendt, MB Ferraro, JC Facelli
Journal of computational chemistry 30 (13), 1973-1985, 2009
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
Crystal structure of glycoside hydrolase family 127 β-l-arabinofuranosidase from Bifidobacterium longum
T Ito, K Saikawa, S Kim, K Fujita, A Ishiwata, S Kaeothip, T Arakawa, ...
Biochemical and biophysical research communications 447 (1), 32-37, 2014
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
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
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