| Year |
Citation |
Score |
| 2020 |
Kwon H, Etz BD, Montgomery M, Messerly R, Shabnam S, Vyas S, van Duin ACT, Mcenally CS, Pfefferle LD, Kim S, Xuan Y. Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations to Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers. The Journal of Physical Chemistry. A. PMID 32364731 DOI: 10.1021/Acs.Jpca.0C03355 |
0.388 |
|
| 2020 |
Messerly RA, Rahimi MJ, John PCS, Luecke JH, Park J, Huq NA, Foust TD, Lu T, Zigler BT, McCormick RL, Kim S. Towards quantitative prediction of ignition-delay-time sensitivity on fuel-to-air equivalence ratio Combustion and Flame. 214: 103-115. DOI: 10.1016/J.Combustflame.2019.12.019 |
0.332 |
|
| 2018 |
Liu B, Kognole AA, Wu M, Westereng B, Crowley MF, Kim S, Dimarogona M, Payne CM, Sandgren M. Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition. The Febs Journal. PMID 29660793 DOI: 10.1111/Febs.14472 |
0.318 |
|
| 2018 |
Das DD, St. John PC, McEnally CS, Kim S, Pfefferle LD. Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale Combustion and Flame. 190: 349-364. DOI: 10.1016/J.Combustflame.2017.12.005 |
0.303 |
|
| 2017 |
Bu L, Ciesielski PN, Robichaud DJ, Kim S, McCormick RL, Foust TD, Nimlos MR. Understanding Trends in Autoignition of Biofuels: Homologous Series of Oxygenated C5 Molecules. The Journal of Physical Chemistry. A. PMID 28678503 DOI: 10.1021/Acs.Jpca.7B04000 |
0.315 |
|
| 2017 |
Ortiz M, Cho S, Niklas J, Kim S, Poluektov OG, Zhang W, Rumbles G, Park J. Through-space ultrafast photoinduced electron transfer dynamics of a C70-encapsulated bisporphyrin covalent organic polyhedron in a low-dielectric medium. Journal of the American Chemical Society. PMID 28287707 DOI: 10.1021/Jacs.7B00220 |
0.307 |
|
| 2016 |
Bu L, Nimlos MR, Robichaud DJ, Kim S. Diffusion of Biomass Pyrolysis Products in H-ZSM-5 by Molecular Dynamics Simulations The Journal of Physical Chemistry C. 121: 500-510. DOI: 10.1021/Acs.Jpcc.6B10871 |
0.335 |
|
| 2015 |
Ferguson GA, Cheng L, Bu L, Kim S, Robichaud DJ, Nimlos MR, Curtiss LA, Beckham GT. Carbocation Stability in H-ZSM5 at High Temperature. The Journal of Physical Chemistry. A. PMID 26501585 DOI: 10.1021/Acs.Jpca.5B07025 |
0.311 |
|
| 2015 |
Kim S, Robichaud DJ, Beckham GT, Paton RS, Nimlos MR. Ethanol dehydration in HZSM-5 studied by density functional theory: evidence for a concerted process. The Journal of Physical Chemistry. A. 119: 3604-14. PMID 25802969 DOI: 10.1021/Jp513024Z |
0.304 |
|
| 2011 |
Kim S, Chmely SC, Nimlos MR, Bomble YJ, Foust TD, Paton RS, Beckham GT. Computational study of bond dissociation enthalpies for a large range of native and modified Lignins Journal of Physical Chemistry Letters. 2: 2846-2852. DOI: 10.1021/Jz201182W |
0.306 |
|
| 2009 |
Sindhikara DJ, Kim S, Voter AF, Roitberg AE. Bad Seeds Sprout Perilous Dynamics: Stochastic Thermostat Induced Trajectory Synchronization in Biomolecules. Journal of Chemical Theory and Computation. 5: 1624-31. PMID 26609854 DOI: 10.1021/Ct800573M |
0.651 |
|
| 2009 |
Dolghih E, Ortiz W, Kim S, Krueger BP, Krause JL, Roitberg AE. Theoretical studies of short polyproline systems: recalibration of a molecular ruler. The Journal of Physical Chemistry. A. 113: 4639-46. PMID 19265388 DOI: 10.1021/Jp811395R |
0.519 |
|
| 2009 |
Sindhikara DJ, Kim S, Voter AF, Roitberg AE. Bad seeds sprout perilous dynamics: Stochastic thermostat induced trajectory synchronization in biomolecules Journal of Chemical Theory and Computation. 5: 1624-1631. DOI: 10.1021/ct800573m |
0.642 |
|
| 2008 |
Kim S, Roitberg AE. Simulating temperature jumps for protein folding. The Journal of Physical Chemistry. B. 112: 1525-32. PMID 18193855 DOI: 10.1021/Jp0727392 |
0.542 |
|
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