Cover Image. - Shuichi Ebisawa; Takuro Tsutsumi; Tetsuya Taketsugu (J. Comput. Chem., 2021)

Geometric analysis of anharmonic downward distortion following paths. - Shuichi Ebisawa; Takuro Tsutsumi; Tetsuya Taketsugu (J. Comput. Chem., 2021)

Total and orbital density-based analyses of molecules revealing long-range interaction regions. - Masatoshi Hasebe; Takuro Tsutsumi; Tetsuya Taketsugu; Takao Tsuneda (J. Comput. Chem., 2023)

Reactive orbital energy theory serving a theoretical foundation for the electronic theory of organic chemistry. - Takao Tsuneda; Hiroki Sumitomo; Masatoshi Hasebe; Takuro Tsutsumi; Tetsuya Taketsugu (J. Comput. Chem., 2023)

Front Cover. - Satoi Wada; Takuro Tsutsumi; Kenichiro Saita; Tetsuya Taketsugu (J. Comput. Chem., 2024)

Ab initio molecular dynamics study of intersystem crossing dynamics for MH2 (M = Si, Ge, Sn, Pb) on spin-pure and spin-mixed potential energy surfaces. - Satoi Wada; Takuro Tsutsumi; Kenichiro Saita; Tetsuya Taketsugu (J. Comput. Chem., 2024)

Unraveling Reaction Path Bifurcation: Insights Into Electron Movement via Natural Reaction Orbitals. - Tatsuhiro Nakanishi; Takuro Tsutsumi; Yuriko Ono; Kazuki Sada; Tetsuya Taketsugu (J. Comput. Chem., 2025)