Identifying the O2 diffusion and reduction mechanisms on CeO2 electrolyte in solid oxide fuel cells: A DFT + U study. - Hsin-Tsung Chen; Jee-Gong Chang; Hui-Lung Chen; Shin-Pon Ju (J. Comput. Chem., 2009)

First-principle calculations on CO oxidation catalyzed by a gold nanoparticle. - Hsin-Tsung Chen; Jee-Gong Chang; Shin-Pon Ju; Hui-Lung Chen (J. Comput. Chem., 2010)

Adsorption and dissociation of NH3 on clean and hydroxylated TiO2 rutile (110) surfaces: A computational study. - Jee-Gong Chang; Hsin-Tsung Chen; Shin-Pon Ju; Ching-Sheng Chang; Meng-Hsiung Weng (J. Comput. Chem., 2011)

Nitrogen-doped C60 as a robust catalyst for CO oxidation. - I-Hsiang Lin; Yu-Huan Lu; Hsin-Tsung Chen (J. Comput. Chem., 2017)