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Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
June 14, 2003
New challenges in quantum chemistry: Quests for accurate calculations for large molecular systems
Keiji Morokuma
Proceedings of the Japan Academy. Series B, Physical and Biological Sciences
|
May 16, 2009
Theoretical studies of structure, function and reactivity of molecules--a personal account
Keiji Morokuma
Journal of the American Chemical Society
|
August 31, 2011
ONIOM(DFT:MM) study of 2-hydroxyethylphosphonate dioxygenase: what determines the destinies of different substrates?
Hajime Hirao, Keiji Morokuma
Journal of the American Chemical Society
|
September 7, 2013
Role of water in Mukaiyama-Aldol reaction catalyzed by lanthanide lewis acid: a computational study
Miho Hatanaka, Keiji Morokuma
Organic Letters
|
August 15, 2003
Copper(II) diamino acid complexes: quantum chemical computations regarding diastereomeric effects on the energy of complexation
Han Zuilhof, Keiji Morokuma
The Journal of Chemical Physics
|
July 2, 2010
Communications: A systematic method for locating transition structures of A+B-->X type reactions
Satoshi Maeda, Keiji Morokuma
Journal of the American Chemical Society
|
December 3, 2010
Ferric superoxide and ferric hydroxide are used in the catalytic mechanism of hydroxyethylphosphonate dioxygenase: a density functional theory investigation
Hajime Hirao, Keiji Morokuma
The Journal of Physical Chemistry Letters
|
April 17, 2010
Drawing the Retinal Out of Its Comfort Zone: An ONIOM(QM/MM) Study of Mutant Squid Rhodopsin
Sivakumar Sekharan, Keiji Morokuma
The Journal of Organic Chemistry
|
May 15, 2015
Revisiting the Passerini reaction mechanism: existence of the nitrilium, organocatalysis of its formation, and solvent effect
Romain Ramozzi, Keiji Morokuma
Journal of the American Chemical Society
|
July 4, 2013
Multiple pathways for the primary step of the spiropyran photochromic reaction: a CASPT2//CASSCF study
Fengyi Liu, Keiji Morokuma
Page
of 25
Search research articles
Search
Showing results (1-10 of 244) with videos related to
Sort By:
Page
of 25
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
June 14, 2003
New challenges in quantum chemistry: Quests for accurate calculations for large molecular systems
Keiji Morokuma
Proceedings of the Japan Academy. Series B, Physical and Biological Sciences
|
May 16, 2009
Theoretical studies of structure, function and reactivity of molecules--a personal account
Keiji Morokuma
Journal of the American Chemical Society
|
August 31, 2011
ONIOM(DFT:MM) study of 2-hydroxyethylphosphonate dioxygenase: what determines the destinies of different substrates?
Hajime Hirao, Keiji Morokuma
Journal of the American Chemical Society
|
September 7, 2013
Role of water in Mukaiyama-Aldol reaction catalyzed by lanthanide lewis acid: a computational study
Miho Hatanaka, Keiji Morokuma
Organic Letters
|
August 15, 2003
Copper(II) diamino acid complexes: quantum chemical computations regarding diastereomeric effects on the energy of complexation
Han Zuilhof, Keiji Morokuma
The Journal of Chemical Physics
|
July 2, 2010
Communications: A systematic method for locating transition structures of A+B-->X type reactions
Satoshi Maeda, Keiji Morokuma
Journal of the American Chemical Society
|
December 3, 2010
Ferric superoxide and ferric hydroxide are used in the catalytic mechanism of hydroxyethylphosphonate dioxygenase: a density functional theory investigation
Hajime Hirao, Keiji Morokuma
The Journal of Physical Chemistry Letters
|
April 17, 2010
Drawing the Retinal Out of Its Comfort Zone: An ONIOM(QM/MM) Study of Mutant Squid Rhodopsin
Sivakumar Sekharan, Keiji Morokuma
The Journal of Organic Chemistry
|
May 15, 2015
Revisiting the Passerini reaction mechanism: existence of the nitrilium, organocatalysis of its formation, and solvent effect
Romain Ramozzi, Keiji Morokuma
Journal of the American Chemical Society
|
July 4, 2013
Multiple pathways for the primary step of the spiropyran photochromic reaction: a CASPT2//CASSCF study
Fengyi Liu, Keiji Morokuma
Page
of 25