World's Best Scientists 2026 revealed!
Keiji Morokuma

Keiji Morokuma

D-Index & Metrics

Chemistry

D-Index
129
Citations
73239
World Ranking
341
National Ranking
14

Keiji Morokuma publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where Keiji Morokuma sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 920 publications — 98th percentile

98% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

Keiji Morokuma D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where Keiji Morokuma sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 129 D-Index — 98th percentile

98% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Research.com Recognitions

  • 1970 - Fellow of Alfred P. Sloan Foundation

Overview

Keiji Morokuma was affiliated with Kyoto University in Japan and contributed extensively to the fields of Materials Science and Chemistry. Their research spanned primarily the subfields of Materials Chemistry, Organic Chemistry, Spectroscopy, Inorganic Chemistry, and Atmospheric Science.

The scientist's work covered a range of topics including Crystallization and Solubility Studies, X-ray Diffraction in Crystallography, Luminescence and Fluorescent Materials, Molecular Sensors and Ion Detection, Organic Light-Emitting Diodes Research, Photoreceptor and Optogenetics Research, as well as Click Chemistry and its applications.

Morokuma published research papers in several reputable scientific journals with some of the most frequent publication venues being:

  • The Cambridge Structural Database
  • Angewandte Chemie International Edition
  • Communications Chemistry
  • Angewandte Chemie
  • European Journal of Inorganic Chemistry

A selection of their recent papers includes:

  • Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non-radiative Decay Pathway, 2020, Angewandte Chemie International Edition
  • Molecular design strategy of fluorogenic probes based on quantum chemical prediction of intramolecular spirocyclization, 2020, Communications Chemistry
  • Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non-radiative Decay Pathway, 2020, Angewandte Chemie
  • Synthesis, Structure and Reactivities of Pentacoordinated Phosphorus-Boron Bonded Compounds, 2020, European Journal of Inorganic Chemistry
  • Non-adiabatic dynamic of atmospheric unimolecular photochemical reactions of 4,4-difluoro-crotonaldehyde using TD-DFT and TSH approaches, 2021, International Journal of Quantum Chemistry

Morokuma frequently collaborated with a group of coauthors, including:

  • Nathan J. O'Brien
  • Naokazu Kano
  • Nizam Havare
  • Ryohei Uematsu
  • Romain Ramozzi

Throughout their career, Morokuma was recognized with awards such as the Fellow of Alfred P. Sloan Foundation in 1970.

Best Publications

  • 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

    Mats Svensson;Stéphane Humbel;Robert D. J. Froese;Toshiaki Matsubara

  • 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;Keiji Morokuma

  • IMOMM: A new integrated ab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

    Feliu Maseras;Feliu Maseras;Keiji Morokuma

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

    Unknown

  • Catalysis Research of Relevance to Carbon Management: Progress, Challenges, and Opportunities

    Hironori Arakawa;Michele Aresta;John N. Armor;Mark A. Barteau

  • The ONIOM Method and Its Applications

    Lung Wa Chung;W. M.C. Sameera;Romain Ramozzi;Alister J. Page

  • Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

    Thom Vreven;K Suzie Byun;István Komáromi;Stefan Dapprich

  • 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−

    Stéphane Humbel;Stefan Sieber;Keiji Morokuma

  • Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinity

    Unknown

  • Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.

    Thom Vreven;Keiji Morokuma;Ödön Farkas;Ödön Farkas;H. Bernhard Schlegel

  • On the application of the IMOMO (integrated molecular orbital + molecular orbital) method

    Thom Vreven;Keiji Morokuma

  • Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods

    Satoshi Maeda;Koichi Ohno;Keiji Morokuma;Keiji Morokuma

  • MODIFICATION OF THE GAUSSIAN-2 THEORETICAL MODEL : THE USE OF COUPLED-CLUSTER ENERGIES, DENSITY-FUNCTIONAL GEOMETRIES, AND FREQUENCIES

    A. M. Mebel;K. Morokuma;Ming-Chang Lin

  • Intrinsic reaction coordinate: Calculation, bifurcation, and automated search

    Satoshi Maeda;Yu Harabuchi;Yuriko Ono;Tetsuya Taketsugu

  • Ab initio molecular orbital studies of catalytic elementary reactions and catalytic cycles of transition-metal complexes

    Nobuaki. Koga;Keiji. Morokuma

  • AB INITIO MOLECULAR ORBITAL STUDY OF THE MECHANISM OF THE GAS PHASE REACTION SO3 + H2O : IMPORTANCE OF THE SECOND WATER MOLECULE

    Keiji Morokuma;Chizuru Muguruma

  • Energetics using the single point IMOMO (integrated molecular orbital+molecular orbital) calculations: Choices of computational levels and model system

    Mats Svensson;Stéphane Humbel;Keiji Morokuma

  • Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex

    Ryo Tanaka;Makoto Yamashita;Lung Wa Chung;Keiji Morokuma

  • Molecular‐Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O

    K. Morokuma;L. Pedersen

  • Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient

    Nobuaki Koga;Keiji Morokuma

  • The C60 Formation Puzzle “Solved”: QM/MD Simulations Reveal the Shrinking Hot Giant Road of the Dynamic Fullerene Self-Assembly Mechanism

    Stephan Irle;Guishan Zheng;Zhi Wang;Keiji Morokuma

  • An ab initio MO and MM study of homogeneous olefin polymerization with silylene-bridged zirconocene catalyst and its regio- and stereoselectivity

    Hiroshi Kawamura-Kuribayashi;Nobuaki Koga;Keiji Morokuma

Frequent Co-Authors

Djamaladdin G. Musaev
Djamaladdin G. Musaev Emory University
Stephan Irle
Stephan Irle Oak Ridge National Laboratory
Nobuaki Koga
Nobuaki Koga Nagoya University
Satoshi Maeda
Satoshi Maeda Hokkaido University
Shigeki Kato
Shigeki Kato Kyoto University
Alexander M. Mebel
Alexander M. Mebel Florida International University
Koichi Yamashita
Koichi Yamashita University of Tokyo
Kenichi Fukui
Kenichi Fukui Osaka University
Lung Wa Chung
Lung Wa Chung Southern University of Science and Technology
Thom Vreven
Thom Vreven Visterra (United States)

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