What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Organic chemistry
- Catalysis
Ab initio, Computational chemistry, Molecular orbital, Photochemistry and Molecule are his primary areas of study.
His research in Ab initio intersects with topics in Ab initio quantum chemistry methods, Crystallography, Physical chemistry, Molecular physics and Atomic physics.
His research investigates the connection between Computational chemistry and topics such as Chemical reaction that intersect with problems in Potential energy surface.
His work carried out in the field of Molecular orbital brings together such families of science as ONIOM, Electronic structure, Hydrogen bond and Thermodynamics.
His studies in Photochemistry integrate themes in fields like Medicinal chemistry, Steric effects, Olefin fiber, Catalysis and Density functional theory.
His work deals with themes such as Chemical physics, Self-assembly and Molecular dynamics, which intersect with Molecule.
His most cited work include:
- ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition (1396 citations)
- The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for n‐butane conformation and SN2 reaction: RCl+Cl− (512 citations)
- Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. (442 citations)
What are the main themes of his work throughout his whole career to date?
Keiji Morokuma mainly investigates Computational chemistry, Ab initio, Atomic physics, Photochemistry and Molecular orbital.
His research integrates issues of ONIOM, Molecule, Hydrogen and Reaction mechanism in his study of Computational chemistry.
Keiji Morokuma works mostly in the field of Ab initio, limiting it down to topics relating to Ab initio quantum chemistry methods and, in certain cases, Potential energy surface, as a part of the same area of interest.
Keiji Morokuma has researched Atomic physics in several fields, including Photodissociation, Molecular physics and Dissociation.
The various areas that he examines in his Photochemistry study include Catalysis and Isomerization.
Keiji Morokuma combines subjects such as Electronic structure and Hydrogen bond with his study of Molecular orbital.
He most often published in these fields:
- Computational chemistry (35.19%)
- Ab initio (31.27%)
- Atomic physics (17.85%)
What were the highlights of his more recent work (between 2009-2021)?
- Computational chemistry (35.19%)
- Photochemistry (17.72%)
- Chemical physics (11.90%)
In recent papers he was focusing on the following fields of study:
His primary areas of study are Computational chemistry, Photochemistry, Chemical physics, Nanotechnology and Molecular dynamics.
His Computational chemistry research integrates issues from ONIOM, Molecule, Chemical reaction, Dissociation and Reaction mechanism.
His Molecule research incorporates elements of Crystallography and Cluster.
His Photochemistry study also includes
- Quantum yield which intersects with area such as Ketone and Diradical,
- Excited state which is related to area like Molecular physics.
Keiji Morokuma interconnects Atomic physics, Electron and Graphene in the investigation of issues within Chemical physics.
His Nanotechnology research incorporates elements of Ab initio and Catalysis.
Between 2009 and 2021, his most popular works were:
- Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods (231 citations)
- Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods (231 citations)
- Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex (209 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Organic chemistry
- Catalysis
His scientific interests lie mostly in Computational chemistry, Photochemistry, Catalysis, Chemical physics and Chemical reaction.
Keiji Morokuma has researched Computational chemistry in several fields, including Non-equilibrium thermodynamics, Noble gas, Dissociation, Transition state and Reaction mechanism.
His studies in Photochemistry integrate themes in fields like ONIOM, Molecule, Fluorescence, Excited state and Photoisomerization.
Keiji Morokuma focuses mostly in the field of ONIOM, narrowing it down to matters related to Molecular orbital and, in some cases, Molecular systems, Nonheme iron and Enzyme mimic.
The study incorporates disciplines such as Molecular dynamics, Nucleation, Conical intersection, Atomic physics and Photodissociation in addition to Chemical physics.
His Ab initio research includes themes of Density functional theory and Chemisorption.
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