Structure, dynamics and stability of water/scCO(2)/mineral interfaces from ab initio molecular dynamics simulations

por Lee, Mal-Soon, Peter McGrail, B., Rousseau, Roger, Glezakou, Vassiliki-Alexandra
Publicado 2015

Impeding (99)Tc(IV) mobility in novel waste forms

por Lee, Mal-Soon, Um, Wooyong, Wang, Guohui, Kruger, Albert A., Lukens, Wayne W., Rousseau, Roger, Glezakou, Vassiliki-Alexandra
Publicado 2016

Advanced Theory and Simulation to Guide the Development of CO(2) Capture Solvents

por Kollias, Loukas, Zhang, Difan, Allec, Sarah I., Nguyen, Manh-Thuong, Lee, Mal-Soon, Cantu, David C., Rousseau, Roger, Glezakou, Vassiliki-Alexandra
Publicado 2022

Self-Organization of 1-Propanol at H-ZSM-5 Brønsted Acid Sites

por Kim, Sungmin, Lee, Mal-Soon, Camaioni, Donald M., Gutiérrez, Oliver Y., Glezakou, Vassiliki-Alexandra, Govind, Niranjan, Huthwelker, Thomas, Zhao, Ruixue, Rousseau, Roger, Fulton, John L., Lercher, Johannes A.
Publicado 2023

Electrochemically Tunable Proton‐Coupled Electron Transfer in Pd‐Catalyzed Benzaldehyde Hydrogenation

por Koh, Katherine, Sanyal, Udishnu, Lee, Mal‐Soon, Cheng, Guanhua, Song, Miao, Glezakou, Vassiliki‐Alexandra, Liu, Yue, Li, Dongsheng, Rousseau, Roger, Gutiérrez, Oliver Y., Karkamkar, Abhijeet, Derewinski, Miroslaw, Lercher, Johannes A.
Publicado 2019

Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase

por Sanyal, Udishnu, Yuk, Simuck F., Koh, Katherine, Lee, Mal‐Soon, Stoerzinger, Kelsey, Zhang, Difan, Meyer, Laura C., Lopez‐Ruiz, Juan A., Karkamkar, Abhi, Holladay, Jamie D., Camaioni, Donald M., Nguyen, Manh‐Thuong, Glezakou, Vassiliki‐Alexandra, Rousseau, Roger, Gutiérrez, Oliver Y., Lercher, Johannes A.
Publicado 2020

Activity of Cu–Al–Oxo Extra-Framework Clusters for Selective Methane Oxidation on Cu-Exchanged Zeolites

por Lee, Insu, Lee, Mal-Soon, Tao, Lei, Ikuno, Takaaki, Khare, Rachit, Jentys, Andreas, Huthwelker, Thomas, Borca, Camelia N., Kalinko, Aleksandr, Gutiérrez, Oliver Y., Govind, Niri, Fulton, John L., Hu, Jian Zhi, Glezakou, Vassiliki-Alexandra, Rousseau, Roger, Sanchez-Sanchez, Maricruz, Lercher, Johannes A.
Publicado 2021