Mal-Soon Lee
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CO Oxidation on Au/TiO2: condition-dependent active sites and mechanistic pathways
YG Wang, DC Cantu, MS Lee, J Li, VA Glezakou, R Rousseau
Journal of the American Chemical Society 138 (33), 10467–10476, 2016
Electrocatalytic Hydrogenation of Biomass-Derived Organics: A Review
SA Akhade, N Singh, OY Gutiérrez, J Lopez-Ruiz, H Wang, JD Holladay, ...
Chemical Reviews 120, 11370–11419, 2020
Electronic structure and thermoelectric properties of Sb-based semiconducting half-Heusler compounds
MS Lee, FP Poudeu, SD Mahanti
Physical Review B 83 (8), 085204, 2011
High-pressure polymeric phases of carbon dioxide
J Sun, DD Klug, R Martoňák, JA Montoya, MS Lee, S Scandolo, E Tosatti
Proceedings of the National Academy of Sciences 106 (15), 6077-6081, 2009
Genesis and Stability of Hydronium Ions in Zeolite Channels
M Wang, NR Jaegers, MS Lee, C Wan, JZ Hu, H Shi, D Mei, SD Burton, ...
Journal of American Chemical Society 141 (8), 3444-3455, 2019
Competitive sorption of CO2 and H2O in 2: 1 layer phyllosilicates
HT Schaef, JS Loring, VA Glezakou, QRS Miller, J Chen, AT Owen, ...
Geochimica et Cosmochimica Acta 161, 248-257, 2015
Impeding 99Tc(IV) mobility in novel waste forms
MS Lee, W Um, G Wang, AA Kruger, WW Lukens, R Rousseau, ...
Nature Communications 7, 12067, 2016
Validity of the rigid band approximation in the study of the thermopower of narrow band gap semiconductors
MS Lee, SD Mahanti
Physical Review B 85 (16), 165149, 2012
Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
K Alexopoulos, MS Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, ...
The Journal of Physical Chemistry C 120 (13), 7172-7182, 2016
Understanding the role of metal and molecular structure on the electrocatalytic hydrogenation of oxygenated organic compounds
JA Lopez-Ruiz, EM Andrews, SA Akhade, MS Lee, K Koh, U Sanyal, ...
ACS Catalysis 9, 9964-9972, 2019
A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes
DC Cantu, AB Padmaperuma, MT Nguyen, SA Akhade, Y Yoon, YG Wang, MS Lee, VA ...
ACS Catalysis 8, 7645–7658, 2018
First-principles investigation of finite-temperature behavior in small sodium clusters
MS Lee, S Chacko, DG Kanhere
The Journal of chemical physics 123 (16), 164310, 2005
Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase
G Yang, SA Akhade, X Chen, Y Liu, MS Lee, VA Glezakou, R Rousseau, ...
Angewandte Chemie International Edition 58 (11), 3527-3532, 2018
Aluminum Zintl anion moieties within sodium aluminum clusters
H Wang, X Zhang, YJ Ko, A Grubisic, X Li, G Ganteför, H Schnöckel, ...
The Journal of Chemical Physics 140 (5), 054301, 2014
Effect of onsite Coulomb repulsion on thermoelectric properties of full-Heusler compounds with pseudogaps
D Do, MS Lee, SD Mahanti
Physical Review B 84 (12), 125104, 2011
Effect of Collective Dynamics and Anharmonicity on Entropy in Heterogenous Catalysis: Building the Case for Advanced Molecular Simulations
G Collinge, SF Yuk, MT Nguyen, MS Lee, VA Glezakou, R Rousseau
ACS Catalysis 10, 9236-9260, 2020
Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh
N Singh, MS Lee, SA Akhade, G Cheng, DM Camaioni, OY Gutiérrez, ...
ACS Catalysis 9 (2), 1120-1128, 2018
Far-infrared absorption of water clusters by first-principles molecular dynamics
MS Lee, F Baletto, DG Kanhere, S Scandolo
The Journal of chemical physics 128 (21), 214506, 2008
Microstructural Response of Variably Hydrated Ca-rich Montmorillonite to Supercritical CO2
MS Lee, BP McGrail, VA Glezakou
Environmental Science & Technology 48, 8612-8619, 2014
Structural Rearrangement of Au-Pd Nanoparticles Under Reactions Conditions: An Ab Initio Molecular Dynamics Study
CQ Xu, MS Lee, YG Wang, DC Cantu, J Li, VA Glezakou, R Rousseau
ACS nano 11 (2), 1649–1658, 2017
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