Fumio Hirata focuses on Thermodynamics, Solvation, Computational chemistry, Integral equation and Molecule. His Thermodynamics research includes elements of Ion, Solvent and Aqueous solution, Physical chemistry. His Solvation research incorporates themes from Molecular orbital theory, Ab initio, Hydration energy and Excess chemical potential.
His research in the fields of Molecular dynamics overlaps with other disciplines such as Function. His Integral equation research is multidisciplinary, incorporating perspectives in Distribution, Classical mechanics, Interaction site, Diatomic molecule and Polar. His biological study spans a wide range of topics, including Chemical physics, Water model, Protein structure and Analytical chemistry.
Fumio Hirata mainly focuses on Thermodynamics, Computational chemistry, Solvation, Molecule and Integral equation. His Thermodynamics research is multidisciplinary, incorporating elements of Ion, Ionic bonding, Aqueous solution and Polar. His studies deal with areas such as Interaction site, Statistical mechanics, Intramolecular force and Solvent as well as Computational chemistry.
His Solvation research integrates issues from Ab initio, Solvent effects and Electronic structure. The study incorporates disciplines such as Chemical physics and Analytical chemistry in addition to Molecule. Fumio Hirata works mostly in the field of Integral equation, limiting it down to concerns involving Classical mechanics and, occasionally, Diatomic molecule.
His primary areas of study are Computational chemistry, Statistical mechanics, Molecule, Molecular recognition and Solvation. Fumio Hirata has included themes like Field, Solvent and Thermodynamics in his Computational chemistry study. His Thermodynamics study combines topics from a wide range of disciplines, such as Ion binding, Perturbation, Aqueous solution and Lysozyme.
Fumio Hirata interconnects Crystallography, Ligand, Chemical physics and Molecular dynamics in the investigation of issues within Molecule. His studies in Molecular recognition integrate themes in fields like Biomolecule and Partial molar property. His work carried out in the field of Solvation brings together such families of science as QM/MM, Hydrolysis, Electronic structure and Pyrophosphate.
His scientific interests lie mostly in Computational chemistry, Molecule, Crystallography, Solvent and Interaction site. Fumio Hirata works mostly in the field of Computational chemistry, limiting it down to topics relating to Solvation and, in certain cases, Drug, Efflux and Biophysics, as a part of the same area of interest. His research in Molecule intersects with topics in Ion, Distribution function and Molecular dynamics.
His Solvent research incorporates elements of Biomolecular structure and Thermodynamics. His study in Thermodynamics focuses on SIMPLE algorithm in particular. His work deals with themes such as Statistical mechanics and Molecular recognition, which intersect with Interaction site.
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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.
Journal of Chemical Physics (1999)
An extended rism equation for molecular polar fluids
Fumio Hirata;Peter J. Rossky.
Chemical Physics Letters (1981)
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)
Molecular Theory of Solvation
Fumio Hirata.
(2004)
Reference interaction site model self-consistent field study for solvation effect on carbonyl compounds in aqueous solution
Seiichiro Ten‐no;Fumio Hirata;Shigeki Kato.
Journal of Chemical Physics (1994)
Application of an extended RISM equation to dipolar and quadrupolar fluids
Fumio Hirata;B. Montgomery Pettitt;Peter J. Rossky.
Journal of Chemical Physics (1982)
The interionic potential of mean force in a molecular polar solvent from an extended RISM equation
Fumio Hirata;Peter J. Rossky;B. Montgomery Pettitt.
Journal of Chemical Physics (1983)
Analytical energy gradient for the reference interaction site model multiconfigurational self‐consistent‐field method: Application to 1,2‐difluoroethylene in aqueous solution
Hirofumi Sato;Fumio Hirata;Shigeki Kato.
Journal of Chemical Physics (1996)
Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach
Andriy Kovalenko;Fumio Hirata.
Journal of Chemical Physics (2000)
Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace
Andriy Kovalenko;Seiichiro Ten-no;Fumio Hirata.
Journal of Computational Chemistry (1999)
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