Calculating rate constants with updated Hessians using variational transition state theory with multidimensional tunneling. - Yao-Yuan Chuang (J. Comput. Chem., 2007)

Infinite basis set extrapolation for double hybrid density functional theory 1: Effect of applying various extrapolation functions. - Yao-Yuan Chuang; Sheng-Min Chen (J. Comput. Chem., 2011)

Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement. - Rubén Meana-Pañeda; Jingjing Zheng; Junwei Lucas Bao; Shuxia Zhang; Benjamin J. Lynch; José C. Corchado; Yao-Yuan Chuang; Patton L. Fast; Wei-Ping Hu; Yi-Ping Liu; Gillian C. Lynch; Kiet A. Nguyen; et al. (Comput. Phys. Commun., 2024)