D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 57 Citations 11,874 258 World Ranking 7597 National Ranking 572

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Molecule
  • Ion

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.

His most cited work include:

  • Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model (437 citations)
  • An extended rism equation for molecular polar fluids (394 citations)
  • Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach (293 citations)

What are the main themes of his work throughout his whole career to date?

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.

He most often published in these fields:

  • Thermodynamics (36.77%)
  • Computational chemistry (33.33%)
  • Solvation (31.62%)

What were the highlights of his more recent work (between 2009-2021)?

  • Computational chemistry (33.33%)
  • Statistical mechanics (12.71%)
  • Molecule (24.05%)

In recent papers he was focusing on the following fields of study:

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.

Between 2009 and 2021, his most popular works were:

  • Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase. (75 citations)
  • Analysis of biomolecular solvation sites by 3D-RISM theory. (53 citations)
  • Proton transport through the influenza A M2 channel: three-dimensional reference interaction site model study (36 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Molecule
  • Organic chemistry

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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)

670 Citations

An extended rism equation for molecular polar fluids

Fumio Hirata;Peter J. Rossky.
Chemical Physics Letters (1981)

632 Citations

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)

435 Citations

Molecular Theory of Solvation

Fumio Hirata.
(2004)

420 Citations

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)

416 Citations

Application of an extended RISM equation to dipolar and quadrupolar fluids

Fumio Hirata;B. Montgomery Pettitt;Peter J. Rossky.
Journal of Chemical Physics (1982)

375 Citations

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)

352 Citations

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)

319 Citations

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)

308 Citations

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)

305 Citations

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