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 · 675 citations

Natural Sciences, Chemistry, Physics +17

An extended rism equation for molecular polar fluids

Fumio Hirata, Peter J. Rossky · Chemical Physics Letters · 1981 · 575 citations

Natural Sciences, Chemistry, Physics +8

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 · 459 citations

Engineering, Chemical Engineering, Computational Fluid Dynamics +10

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 · 392 citations

Natural Sciences, Biochemistry, Biophysics +15

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 · 313 citations

Natural Sciences, Chemistry, Physics +17