Takumi Hori

A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents

Hiroaki Takahashi, Takumi Hori, H Hashimoto et al. · Journal of Computational Chemistry · 2001 · 63 citations

Engineering, Liquid-liquid Flow, Computational Chemistry +24

Real Space Ab Initio Molecular Dynamics Simulations for the Reactions of OH Radical/OH Anion with Formaldehyde

Hideaki Takahashi, Takumi Hori, Tadafumi Wakabayashi et al. · The Journal of Physical Chemistry A · 2001 · 55 citations

Engineering, Theoretical Inorganic Chemistry, Double Grid Technique +18

A Density Functional Study for Hydrogen Bond Energy by Employing Real Space Grids

Hideaki Takahashi, Takumi Hori, Tadafumi Wakabayashi et al. · Chemistry Letters · 2000 · 45 citations

Density Functional Study, Real Space Grids, Engineering +14

An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water

Hideaki Takahashi, Wataru Satou, Takumi Hori et al. · The Journal of Chemical Physics · 2005 · 30 citations

A QM/MM study combined with the theory of energy representation: Solvation free energies for anti/syn acetic acids in aqueous solution

Takumi Hori, Hideaki Takahashi, Masayoshi Nakano et al. · Chemical Physics Letters · 2005 · 25 citations

Engineering, Physicochemical Analysis, Solution (Chemistry) +11