Non-Born-Oppenheimer dynamics calculations using the coherent switching with decay of mixing method. - Bin Li; Tian-Shu Chu; Ke-Li Han (J. Comput. Chem., 2010)

Fluoride anion sensing mechanism of a BODIPY-linked hydrogen-bonding probe. - Yang Li; Junsheng Chen; Tian-Shu Chu (J. Comput. Chem., 2018)