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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
Masanobu Uchiyama research scientist

Collaborators

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Lee G. Pedersen collaborator 1965-1968 Columbia, Harvard
BETA: Related publications

Publications

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Isegawa M, Sharma AK, Ogo S, et al. (2018) Electron and Hydride Transfer in a Redox-Active NiFe Hydride Complex: A DFT Study Acs Catalysis. 8: 10419-10429
Isegawa M, Sharma AK, Ogo S, et al. (2018) DFT Study on Fe(IV)-Peroxo Formation and H Atom Transfer Triggered O2 Activation by NiFe Complex Organometallics. 37: 1534-1545
Oku T, Okada M, Puripat M, et al. (2018) Promotional effect of CH3I on hydroxycarbonylation of cycloalkene using homogeneous rhodium catalysts with PPh3 ligand Journal of Co 2 Utilization. 25: 1-5
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
Suzuki K, Morokuma K, Maeda S. (2017) Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems. Journal of Computational Chemistry
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)
Yang MC, Sharma AK, Sameera WM, et al. (2017) A Theoretical Study of Addition Reactions of L4M(M = Rh, Ir) and L2M(M = Pd, Pt) to Li+@C60. The Journal of Physical Chemistry. A
Isegawa M, Sameera WMC, Sharma AK, et al. (2017) Copper-Catalyzed Enantioselective Boron Conjugate Addition: DFT and AFIR Study on Different Selectivities of Cu(I) and Cu(II) Catalysts Acs Catalysis. 7: 5370-5380
Qian H, Wang Y, Morokuma K. (2017) Quantum mechanical simulation reveals the role of cold helium atoms and the coexistence of bottom-up and top-down formation mechanisms of buckminsterfullerene from carbon vapor Carbon. 114: 635-641
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