Orbital Energy-Based Reaction Analysis of SN2 Reactions. - Takao Tsuneda; Satoshi Maeda; Yu Harabuchi; Raman K. Singh (Comput., 2016)

Nontotally symmetric trifurcation of an SN2 reaction pathway. - Yu Harabuchi; Yuriko Ono; Satoshi Maeda; Tetsuya Taketsugu; Kristopher Keipert; Mark S. Gordon (J. Comput. Chem., 2016)

Implementation and performance of the artificial force induced reaction method in the GRRM17 program. - Satoshi Maeda; Yu Harabuchi; Makito Takagi; Kenichiro Saita; Kimichi Suzuki; Tomoya Ichino; Yosuke Sumiya; Kanami Sugiyama; Yuriko Ono (J. Comput. Chem., 2018)

Excited-State Reactivity of [Mn(im)(CO)3(phen)]+: A Structural Exploration. - Maria Fumanal; Yu Harabuchi; Etienne Gindensperger; Satoshi Maeda; Chantal Daniel (J. Comput. Chem., 2019)

Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropolone. - Yusuke Ootani; Aya Satoh; Yu Harabuchi; Tetsuya Taketsugu (J. Comput. Chem., 2020)