Showing results (1-10 of 262) with videos related to
Sort By:
Pageof 27
The Journal of Chemical Physics|June 18, 2009
Liouville-von Neumann molecular dynamicsJacek Jakowski, Keiji MorokumaPhysical Chemistry Chemical Physics : PCCP|December 8, 2011
Time-dependent quantum dynamical simulations of C2 condensation under extreme conditionsJacek Jakowski, Stephan Irle, Keiji MorokumaThe Journal of Physical Chemistry Letters|August 20, 2015
Modeling Charge Transfer in Fullerene Collisions via Real-Time Electron DynamicsJacek Jakowski, Stephan Irle, Bobby G Sumpter, et al.Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|June 14, 2003
New challenges in quantum chemistry: Quests for accurate calculations for large molecular systemsKeiji MorokumaProceedings of the Japan Academy. Series B, Physical and Biological Sciences|May 16, 2009
Theoretical studies of structure, function and reactivity of molecules--a personal accountKeiji MorokumaJournal of the American Chemical Society|December 18, 2003
Theoretical analysis of the electronic structure and bonding stability of the TCNE dimer dianion (TCNE) 2 2-Jacek Jakowski, Jack SimonsJournal 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 MorokumaJournal of the American Chemical Society|September 7, 2013
Role of water in Mukaiyama-Aldol reaction catalyzed by lanthanide lewis acid: a computational studyMiho Hatanaka, Keiji MorokumaOrganic Letters|August 15, 2003
Copper(II) diamino acid complexes: quantum chemical computations regarding diastereomeric effects on the energy of complexationHan Zuilhof, Keiji MorokumaThe Journal of Chemical Physics|July 2, 2010
Communications: A systematic method for locating transition structures of A+B-->X type reactionsSatoshi Maeda, Keiji MorokumaPageof 27