| COMP | Monday, August 20, 2007 | ||
9:00 AM-12:10 PM BCEC -- 160B, Oral | |||
Bold Predictions in Theoretical Chemistry: A Symposium in Honor of One of the Boldest, Bill Goddard, on the Occasion of his 70th Birthday | |||
| Nanotechnology | |||
| Organizers: | Emily A. Carter Mark S. Gordon | ||
| Presiding: | Jamil Tahir-Kheli | ||
| 9:00 AM | 115 | Quantum chemical molecular dynamics simulations of growth of fullerenes, metallofullerenes and carbon nanotubes Keiji Morokuma, Stephan Irle, Zhi Wang, Guishan Zheng, Benjamin Y. Finck, Biswajit Saha, Yasuhito Ohta, Yoshiko Okamoto | |
| 9:35 AM | 116 | Silicon nanowire thermoelectrics James R. Heath, Akram Boukai, Yuri Bunimovich, Jen Kan Yu, William A. Goddard III, Paul von Allmen, Jamil Tahir-Kheli, Seungwon Lee, Robert J. Nielsen, Yuki Matsuda | |
| 10:10 AM | 117 | Chemical dynamics at metal surfaces: Electronic excitations Neil Shenvi, Sharani Roy, Hongzhi Cheng, John Tully | |
| 10:45 AM | Intermission | ||
| 11:00 AM | 118 | Quantum conductance of silver nanowires and linearization of atomic gold chains Young Cheol Choi, Woo Youn Kim, Seung Kyu Min, Han Myoung Lee, Kwang S. Kim | |
| 11:35 AM | 119 | Time-dependent density-functional theory for open systems and its calculation of transient currents through molecular devices GuanHua Chen | |
Previous Session -- Bold Predictions in Theoretical Chemistry: A Symposium in Honor of One of the Boldest, Bill Goddard, on the Occasion of his 70th Birthday -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007