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Kazuo Kitaura

Kazuo Kitaura

D-Index & Metrics

Chemistry

D-Index
66
Citations
17806
World Ranking
7199
National Ranking
467

Overview

Kazuo Kitaura is affiliated with Kyoto University in Japan. Their research spans across the fields of Chemistry and Physics and Astronomy, with specific work in Spectroscopy, Astronomy and Astrophysics, and Physical and Theoretical Chemistry.

The main topics addressed in their research include:

  • Molecular spectroscopy and chirality
  • Origins and Evolution of Life
  • Crystallography and molecular interactions

Kitaura's publication record includes work in the journal Physical Chemistry Chemical Physics, where their recent paper titled "On the question of steric repulsion versus noncovalent attractive interactions in chiral phosphoric acid catalyzed asymmetric reactions" was published in 2021.

Frequent co-authors contributing to their research include:

  • Soumi Tribedi
  • Takahito Nakajima
  • Raghavan B. Sunoj

Best Publications

  • Fragment molecular orbital method: an approximate computational method for large molecules

    Kazuo Kitaura;Eiji Ikeo;Toshio Asada;Tatsuya Nakano

  • Extending the Power of Quantum Chemistry to Large Systems with the Fragment Molecular Orbital Method

    Dmitri G Fedorov;Kazuo Kitaura

  • Pair interaction energy decomposition analysis

    Dmitri G. Fedorov;Kazuo Kitaura

  • The importance of three-body terms in the fragment molecular orbital method.

    Dmitri G. Fedorov;Kazuo Kitaura

  • Fragment molecular orbital method: use of approximate electrostatic potential

    Tatsuya Nakano;Tsuguchika Kaminuma;Toshiyuki Sato;Kaori Fukuzawa

  • Exploring chemistry with the fragment molecular orbital method

    Dmitri G. Fedorov;Takeshi Nagata;Takeshi Nagata;Kazuo Kitaura;Kazuo Kitaura

  • Fragment molecular orbital method: application to polypeptides

    Tatsuya Nakano;Tsuguchika Kaminuma;Toshiyuki Sato;Yutaka Akiyama

  • The Fragment Molecular Orbital Method : Practical Applications to Large Molecular Systems

    Dmitri Fedorov;Kazuo Kitaura

  • Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method.

    Dmitri G. Fedorov;Kazuo Kitaura

  • A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)

    Dmitri G. Fedorov;Ryan M. Olson;Kazuo Kitaura;Mark S. Gordon

  • Pair interaction molecular orbital method: an approximate computational method for molecular interactions

    Kazuo Kitaura;Takuya Sawai;Toshio Asada;Tatsuya Nakano

  • Coupled-cluster theory based upon the fragment molecular-orbital method.

    Dmitri G. Fedorov;Kazuo Kitaura

  • Cl–π Interactions in Protein–Ligand Complexes

    Yumi N. Imai;Yumi N. Imai;Yoshihisa Inoue;Isao Nakanishi;Kazuo Kitaura

  • Fragment molecular orbital method: analytical energy gradients

    Kazuo Kitaura;Sin-Ichirou Sugiki;Tatsuya Nakano;Yuto Komeiji

  • Large scale MP2 calculations with fragment molecular orbital scheme

    Yuji Mochizuki;Shigeru Koikegami;Tatsuya Nakano;Shinji Amari

  • Cobalt metallacycles. 11. On the transformation of bis(acetylene)cobalt to cobaltacyclopentadiene

    Yasuo Wakatsuki;Okio Nomura;Kazuo Kitaura;Keiji Morokuma

  • A parallelized integral-direct second-order Møller–Plesset perturbation theory method with a fragment molecular orbital scheme

    Yuji Mochizuki;Tatsuya Nakano;Shigeru Koikegami;Souichirou Tanimori

  • Role of agostic interaction in .beta.-elimination of palladium and nickel complexes. An ab initio MO study

    Nobuaki Koga;Shigeru Obara;Kazuo Kitaura;Keiji Morokuma

  • The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO)

    Dmitri G. Fedorov;Kazuo Kitaura;Hui Li;Jan H. Jensen

  • Multilayer formulation of the fragment molecular orbital method (FMO).

    Dmitri G Fedorov;Toyokazu Ishida;Kazuo Kitaura

  • Energy Decomposition Analysis of Molecular Interactions

    Keiji Morokuma;Kazuo Kitaura

Frequent Co-Authors

Dmitri G. Fedorov
Dmitri G. Fedorov National Institute of Advanced Industrial Science and Technology
Keiji Morokuma
Keiji Morokuma Kyoto University
Mark S. Gordon
Mark S. Gordon Iowa State University
Gozoh Tsujimoto
Gozoh Tsujimoto Kyoto University
Akira Hirasawa
Akira Hirasawa Okayama University
Hiroaki Ohno
Hiroaki Ohno Kyoto University
Shinya Oishi
Shinya Oishi Kyoto University
Nobutaka Fujii
Nobutaka Fujii Kyoto University
Nobuaki Koga
Nobuaki Koga Nagoya University
Jan H. Jensen
Jan H. Jensen University of Copenhagen

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