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Yeonjoon Kim
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Efficient prediction of reaction paths through molecular graph and reaction network analysis
Y Kim, JW Kim, Z Kim, WY Kim
Chemical science 9 (4), 825-835, 2018
792018
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), 1-12, 2020
732020
Poly (amide-imide) materials for transparent and flexible displays
SD Kim, B Lee, T Byun, IS Chung, J Park, I Shin, NY Ahn, M Seo, Y Lee, ...
Science advances 4 (10), eaau1956, 2018
432018
Efficient basin-hopping sampling of reaction intermediates through molecular fragmentation and graph theory
Y Kim, S Choi, WY Kim
Journal of Chemical Theory and Computation 10 (6), 2419-2426, 2014
382014
The facet-dependent enhanced catalytic activity of Pd nanocrystals
M Kim, Y Kim, JW Hong, S Ahn, WY Kim, SW Han
Chemical Communications 50 (67), 9454-9457, 2014
382014
Computational searching for new stable graphyne structures and their electronic properties
H Kim, Y Kim, J Kim, WY Kim
Carbon 98, 404-410, 2016
342016
Bicyclic bridgehead phosphoramidite (briphos) ligands with tunable π-acceptor ability and catalytic activity in the rhodium-catalyzed conjugate additions
A Lee, S Ahn, K Kang, MS Seo, Y Kim, WY Kim, H Kim
Organic letters 16 (20), 5490-5493, 2014
302014
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), 1-6, 2020
292020
In-situ hydrogenation of bio-oil/bio-oil phenolic compounds with secondary alcohols over a synthesized mesoporous Ni/CeO2 catalyst
H Shafaghat, YF Tsang, JK Jeon, JM Kim, Y Kim, S Kim, YK Park
Chemical Engineering Journal 382, 122912, 2020
282020
Universal structure conversion method for organic molecules: from atomic connectivity to three‐dimensional geometry
Y Kim, WY Kim
Bulletin of the Korean Chemical Society 36 (7), 1769-1777, 2015
242015
Feasibility of activation energy prediction of gas‐phase reactions by machine learning
S Choi, Y Kim, JW Kim, Z Kim, WY Kim
Chemistry–A European Journal 24 (47), 12354-12358, 2018
182018
Ga/ZSM-5 catalyst improves hydrocarbon yields and increases alkene selectivity during catalytic fast pyrolysis of biomass with co-fed hydrogen
K Iisa, Y Kim, KA Orton, DJ Robichaud, R Katahira, MJ Watson, ...
Green chemistry 22 (8), 2403-2418, 2020
162020
A perspective on biomass-derived biofuels: From catalyst design principles to fuel properties
Y Kim, AE Thomas, DJ Robichaud, K Iisa, PCS John, BD Etz, GM Fioroni, ...
Journal of Hazardous Materials 400, 123198, 2020
152020
Isotopic studies for tracking biogenic carbon during co-processing of biomass and vacuum gas oil
C Mukarakate, K Orton, Y Kim, S Dell’Orco, CA Farberow, S Kim, ...
ACS Sustainable Chemistry & Engineering 8 (7), 2652-2664, 2020
142020
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
132020
Performance of ACE-reaction on 26 organic reactions for fully automated reaction network construction and microkinetic analysis
JW Kim, Y Kim, KY Baek, K Lee, WY Kim
The Journal of Physical Chemistry A 123 (22), 4796-4805, 2019
92019
Prediction of homolytic bond dissociation enthalpies for organic molecules at near chemical accuracy with sub-second computational cost
PS John, Y Guan, Y Kim, S Kim, R Paton
82019
Investigation of structural effects of aromatic compounds on sooting tendency with mechanistic insight into ethylphenol isomers
Y Kim, BD Etz, GM Fioroni, CK Hays, PCS John, RA Messerly, S Vyas, ...
Proceedings of the Combustion Institute 38 (1), 1143-1151, 2021
52021
Graph theory-based reaction pathway searches and DFT calculations for the mechanism studies of free radical-initiated peptide sequencing mass spectrometry (FRIPS MS): a model …
J Lee, Y Kim, WY Kim, HB Oh
Physical Chemistry Chemical Physics 22 (9), 5057-5069, 2020
52020
Understanding how chemical structure affects ignition-delay-time ϕ-sensitivity
RA Messerly, JH Luecke, PCS John, BD Etz, Y Kim, BT Zigler, ...
Combustion and Flame 225, 377-387, 2021
32021
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Articles 1–20