Takeshi Yamamoto

Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent

Hiroshi Nakano, Takeshi Yamamoto · The Journal of Chemical Physics · 2012 · 60 citations

Free Energy, Engineering, Variational Calculation +16

A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids

Hiroshi Nakano, Takeshi Yamamoto, Shigekí Kato · The Journal of Chemical Physics · 2010 · 38 citations

Engineering, Computational Chemistry, Total Polarization Energy +19

Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation

Hiroshi Nakano, Takeshi Yamamoto · Journal of Chemical Theory and Computation · 2012 · 33 citations

Numerical Analysis, Electrical Engineering, Engineering +15

Full-dimensional quantum dynamics study on the mode-specific unimolecular dissociation reaction of HFCO

Takeshi Yamamoto, Shigekí Kato · The Journal of Chemical Physics · 2000 · 24 citations

Quantum Dynamic, Excited State Property, Dissociation Rate +14

Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect

Taichi Inagaki, Shinji Aono, Hiroshi Nakano et al. · The Journal of Physical Chemistry B · 2014 · 24 citations

Solid-state Ionic, Ion-water Interactions, Engineering +14