Perturbative treatment of anharmonic vibrational effects on bond distances: An extended langevin dynamics method. - Tonghao Shen; Neil Qiang Su; Anan Wu; Xin Xu 004 (J. Comput. Chem., 2014)

The enhanced extended phenomenological kinetics method to deal with timescale disparity problem among different reaction pathways. - Chen Ding; Jingwei Weng; Tonghao Shen; Xin Xu 004 (J. Comput. Chem., 2020)

Benchmarking boron cluster calculations: Establishing reliable geometrical and energetic references for Bn (n = 1-4). - Lina Liu; Zhihong Wei; Qiang Chen; Chaoren Shen; Tonghao Shen; Xinxin Tian; Si-Dian Li (J. Comput. Chem., 2024)