Ab initio molecular dynamics of protonated water clusters by integrated multicenter molecular-orbital method. - Taro Udagawa; Shogo Sakai (J. Comput. Chem., 2011)

Why is N···Be distance of NH3H+···DBeH shorter than that of NH3D+···HBeH? paradoxical geometrical isotope effects for partially isotope-substituted dihydrogen-bonded isotopomers. - Taro Udagawa; Masanori Tachikawa (J. Comput. Chem., 2014)

H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH...YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation. - Taro Udagawa; Masanori Tachikawa (J. Comput. Chem., 2015)

A multicomponent QM study of H2 dissociation on small aluminum cluster. - Taro Udagawa; Kimichi Suzuki; Masanori Tachikawa (ICCS, 2017)

Comprehensive Analysis of Deuterium Isotope Effects on Ionic H3O+...π Interactions Using Multi-Component Quantum Mechanics Methods. - Taro Udagawa; Yusuke Kanematsu; Takayoshi Ishimoto; Masanori Tachikawa (J. Comput. Chem., 2025)