Keiji Morokuma

Researcher Next ID · RN-004843

Researcher · Physics and Astronomy

Kyoto, Japan

Not currently recruitingFunding unknown

Research interests

Physics and Astronomy

Chemistry

Advanced Chemical Physics Studies

Spectroscopy and Quantum Chemical Studies

Organometallic Complex Synthesis and Catalysis

Asymmetric Hydrogenation and Catalysis

Photochemistry and Electron Transfer Studies

A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives
Journal of Molecular Structure THEOCHEM · 1999 · https://doi.org/10.1016/s0166-1280(98)00475-8
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
The Journal of Physical Chemistry · 1996 · https://doi.org/10.1021/jp962071j
IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states
Journal of Computational Chemistry · 1995 · https://doi.org/10.1002/jcc.540160911
A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation
International Journal of Quantum Chemistry · 1976 · https://doi.org/10.1002/qua.560100211
Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O
The Journal of Chemical Physics · 1971 · https://doi.org/10.1063/1.1676210

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