Concepedia

Keiji Morokuma

KM

Statistics

Publications

705

Citations

56.3K

H-Index

107

Active since

1959

Affiliations

Emory University(Current)

Atlanta University Center

Emerson (United States)

Kyoto University

Institute for Molecular Science

Keiji Morokuma is an author at Emory University specializing in natural sciences, chemistry, and computational chemistry.

Publications per year

1959–2020

705

Publications

705

A new energy decomposition scheme for molecular interactions within the Hartree‐Fock approximation

Kazuo Kitaura, Keiji Morokuma · International Journal of Quantum Chemistry · 1976 · 2.1K citations

, , +12

A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives

Stefan Dapprich, István Komáromi, K. Suzie Byun et al. · Journal of Molecular Structure THEOCHEM · 1999 · 2.1K citations

, , +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(<i>t</i>-Bu)<sub>3</sub>)<sub>2</sub> + H<sub>2</sub> Oxidative Addition

Mats Svensson, Stéphane Humbel, Robert D. J. Froese et al. · The Journal of Physical Chemistry · 1996 · 2K citations

, , +17

Molecular Orbital Studies of Hydrogen Bonds. III. C=O···H–O Hydrogen Bond in H2CO···H2O and H2CO···2H2O

Keiji Morokuma · The Journal of Chemical Physics · 1971 · 1.9K citations

, , +15

IMOMM: A new integrated <i>ab initio</i> + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

Feliu Maseras, Keiji Morokuma · Journal of Computational Chemistry · 1995 · 1.7K citations

, , +13

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