Fumio Hirata

Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model

Andriy Kovalenko, Fumio Hirata · The Journal of Chemical Physics · 1999 · 666 citations

Engineering, Computational Chemistry, Chemistry +20

An extended rism equation for molecular polar fluids

Fumio Hirata, Peter J. Rossky · Chemical Physics Letters · 1981 · 567 citations

Physics, Potential Theory, Extended Rism Equation +2

Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach

Andriy Kovalenko, Fumio Hirata · Chemical Physics Letters · 1998 · 450 citations

Arbitrary Shape, Engineering, Physics +12

The effects of solvent on the conformation and the collective motions of protein: Normal mode analysis and molecular dynamics simulations of melittin in water and in vacuum

Akio Kitao, Fumio Hirata, Nobuhiro Gō · Chemical Physics · 1991 · 391 citations

Protein Chemistry, Collective Motions, Biochemistry +9

Reference interaction site model self-consistent field study for solvation effect on carbonyl compounds in aqueous solution

Seiichiro Ten‐no, Fumio Hirata, Shigekí Kato · The Journal of Chemical Physics · 1994 · 312 citations

Engineering, Computational Chemistry, Chemistry +18