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Keiji Morokuma, Ph.D.

Affiliations: 
Fukui institute University of Kyoto, Kyōto-shi, Kyōto-fu, Japan 
Area:
Theoretical Chemistry
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"Keiji Morokuma"
Bio:

http://www.iaqms.org/members/morokuma.php

Mean distance: 7.46
 
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Parents

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Junji Furukawa research assistant Kyoto University
 (undergraduate student)
Kenichi Fukui grad student 1963 Kyoto University
Martin Karplus post-doc 1968-1969 Harvard

Children

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Zhuofeng KE grad student
Qiang Cui grad student 1997 Emory
Alexey L. Kaledin grad student 2000 Emory
Zhiwei Liu grad student 2000 Emory
Dmitry V. Khoroshun grad student 2002 Emory
Ilja V. Khavrutskii grad student 2004 Emory
Peng Zhang grad student 2005 Emory
Sung J. Mo grad student 2006 Emory
Taraneh Nowroozi-Isfahani grad student 2006 Emory
Guishan Zheng grad student 2006 Emory
Zhi Wang grad student 2008 Emory
Valentine P. Ananikov post-doc Emory
Miho Isegawa post-doc Kyoto University, Japan
Suehiro Iwata post-doc 1972-1973 Rochester
Feliu Maseras post-doc 1992-1994
Stéphane Humbel post-doc 1995-1996 Emory
Stephan Irle post-doc 1997-1998 Emory
Seiji Mori post-doc 1998-2000 Emory
Robert K. Szilagyi post-doc 1998-2000 Emory
Henryk A. Witek post-doc 2003-2005 Emory
Joonghan Kim post-doc 2010-2012 Kyoto University
(Oscar) Lung Wa Chung post-doc 2006-2013 Kyoto University
Mikhail N. Ryazantsev post-doc 2010-2014 Emory University, Atlanta, GA, USA
WMC Sameera post-doc 2014-2016 Kyoto University

Collaborators

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Lee G. Pedersen collaborator 1965-1968 Columbia, Harvard
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Publications

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Iwai R, Suzuki S, Sasaki S, et al. (2020) Bridged Stilbenes: AIEgens Designed via a Simple Strategy to Control the Non-radiative Decay Pathway. Angewandte Chemie (International Ed. in English)
Suzuki K, Maeda S, Morokuma K. (2019) Roles of Closed- and Open-Loop Conformations in Large-Scale Structural Transitions of l-Lactate Dehydrogenase. Acs Omega. 4: 1178-1184
Lee CW, Taylor BLH, Petrova GP, et al. (2019) An unexpected Ireland-Claisen rearrangement cascade during the synthesis of the tricyclic core of Curcusone C: Mechanistic elucidation by trial-and-error and automatic artificial force-induced reaction (AFIR) computations. Journal of the American Chemical Society
Hatanaka M, Osawa A, Wakabayashi T, et al. (2017) Computational study on the luminescence quantum yields of terbium complexes with 2,2'-bipyridine derivative ligands. Physical Chemistry Chemical Physics : Pccp
Sharma AK, Sameera WMC, Jin M, et al. (2017) DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions. Journal of the American Chemical Society
Yoshimura T, Maeda S, Taketsugu T, et al. (2017) Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation. Chemical Science. 8: 4475-4488
Sasaki S, Suzuki S, Igawa K, et al. (2017) The K-Region in Pyrenes as a Key Position to Activate Aggregation-Induced Emission: Effects of Introducing Highly Twisted N,N-Dimethylamines. The Journal of Organic Chemistry
Suzuki K, Morokuma K, Maeda S. (2017) Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems. Journal of Computational Chemistry
Hatanaka M, Hirai Y, Kitagawa Y, et al. (2017) Organic linkers control the thermosensitivity of the emission intensities from Tb(iii) and Eu(iii) in a chameleon polymer. Chemical Science. 8: 423-429
Kano N, O'Brien NJ, Uematsu R, et al. (2017) Trihydroborates and Dihydroboranes Bearing a Pentacoordinated Phosphorus Atom: Double Ring Expansion To Balance the Coordination States. Angewandte Chemie (International Ed. in English)
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