| INOR | Tuesday, 12 September 2006 | ||
7:00 PM-10:00 PM Moscone Center -- Hall D, Poster | |||
Computational Chemistry | |||
| Organizer: | Bernadette T. Donovan-Merkert | ||
| 644 | Topological analysis of bonding in EX (E: group 15; X: group 16) systems from DFT calculations Marek M. Kubicki, Benoit Devanne, Estelle Vigier-Juteau | ||
| 645 | A rational design of metallomacrocyclic complexes with superior π acidity and bacisity vs. organic counterparts: Inorganic rules! Sammer M. Tekarli, Thomas R. Cundari, Mohammad A. Omary | ||
| 646 | Energetics and barriers of cyclization reactions involving phosphinoborane (F3C)2BP(t-Bu)2 and aminoalane cyclo-(F3C)AlCMe2CH2C H2CMe2N(t-Bu) Thomas M. Gilbert | ||
| 647 | In silico evolution of substrate selectivity: Comparison of organometallic ruthenium complexes with the anticancer drug cisplatin Justin Kai-Chi Lau, Dirk V. Deubel | ||
| 648 | Inaccessibility of beta-hydride elimination from -OH functional groups in Wacker-type oxidation John A Keith, Jonas Oxgaard, William A Goddard III | ||
| 649 | Protonation sites and proton migration in heterobinuclear complexes Roger L. DeKock, Lee P. Heeringa | ||
| 650 | Quantification of repulsive intra-molecular interactions and the physical basis of the “lone pair” effect Ronald F. See, Thomas A. Baker, Catherine E. Gumm, Chad Myers | ||
| 651 | Theoretical study of oxidative addition of H-H and C-CN bonds to Ni(0) complex Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki | ||
| 652 | Towards understanding the role of the titanium in the hydrogenation and dehydrogenation of sodium alanate: A hybrid density functional study Cristian V. Diaconu, J. D. Doll, David L. Freeman | ||
Symposium Grid -- Division of Inorganic Chemistry -- Session Listing
The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006