| Journal of Physical Chemistry B 2006 Keiji Morokuma |
| Title | Subject | Authors |
|---|
| Density functional study of the roles of chemical composition of di-transition-metal-substituted gamma-Keggin polyoxometalate anions. | Chemicals, plastics and rubber industries | Keiji Morokuma, Craig L. Hill, Djamaladdin G. Musaev, Yan Wang, Yurii V. Geletii, Gulshan Zheng |
| Is the protein surrounding the active site critical for hydrogen peroxide reduction by selenoprotein glutathione peroxidase? An ONIOM study. | Chemicals, plastics and rubber industries | Keiji Morokuma, Djamaladdin G. Musaev, Rajeev Prabhakar, Thom Vreven, Michael J. Frisch |
| The [C.sub.60] formation puzzle "solved": QM/MD simulations reveal the shrinking hot giant road of the dynamic fullerene self-assembly mechanism. | Chemicals, plastics and rubber industries | Keiji Morokuma, Stephan Irle, Guishan Zheng, Zhi Wang |
| The role of the central atom in structure and reactivity of polyoxometalates with adjacent d-electron metal sites. Computational and experimental studies of gama-[(X(super n+) O4) Ru(super III)2(OH)2(M(sub FM)10O32](super 8-n) (super -) for M(sub FM) = Mo and W, and X = Al(super III), Si(super IV), P(super V), and S(super VI). | Chemicals, plastics and rubber industries | Keiji Morokuma, Craig L. Hill, Djamaladdin G. Musaev, Yan Wang, David Quinonreo, Lyuba A. Khavrutskii, Bogdian Botar, Yurii V. Geletii |
This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.
