| INOR | Tuesday, August 21, 2007 | ||
7:00 PM-10:00 PM BCEC -- Exhibit Hall - B2, Poster | |||
Theoretical and Computational Chemistry | |||
| Organizer: | Bernadette T. Donovan-Merkert | ||
| 732 | Neutral half sandwiches containing five planar tetracoordinate carbon atoms Nancy Pérez, Alberto Vela, Gabriel Merino | ||
| 733 | Computational studies on the photophysical properties and NMR fluxionality of the tetranuclear copper(I) complexes [Cu4(mu-dppm)4(mu4-E)]2+ (E = PPh and S) Wai Han Lam, Eddie Chung-Chin Cheng, Vivian Wing-Wah Yam | ||
| 734 | DFT study on Fe(NO)2P(OCH3)3TCNE, rotational barrier of coordinated olefin Miguel A. Camacho-Fernandez, Lijuan Li | ||
| 735 | Modeling of M-DNA using dispersion-augmented density functional tight binding: Benchmarks with RI-MP2 and CCSD(T) as reference Stephan Irle | ||
| 736 | The Jahn-Teller effect in [M@Au12]q and [M@Pb12]q icosahedral cage clusters as interpreted by Dirac cluster calculations Ramiro Arratia-Perez, Lucia Hernandez-Acevedo | ||
| 737 | Computational approach for the comparison of the Π-acceptor character of N-donor heterocycles in Au(III) complexes Emilio Bordignon, Marco Bortoluzzi, Gino Paolucci, Bruno Pitteri | ||
| 738 | Computational analysis of the excited states of tetrachloroferrate Robert B. Yelle | ||
| 739 | Theoretical studies of the mechanism of reduction of N2 by an iron-phosphine complex Robert B. Yelle, Justin L. Crossland, Nathaniel K. Szymczak, David R. Tyler | ||
Symposium Grid -- Division of Inorganic Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007