PHYSMonday, August 20, 2007

8:00 PM-10:00 PM BCEC -- Exhibit Hall - B2, Sci-Mix
Sci-Mix
Organizer:Gregory A. Voth
 Accounting for temperature fluctuations when modeling chemical reactions with KMC
Thomas C. Castonguay, Feng Wang
 Applications of gold nanoparticles in cancer cell diagnostics and therapy
Xiaohua Huang, Ivan H El-Sayed, Mostafa El-Sayed
 Biophysical studies of confinement utilizing reverse micelle technology
Amy C. Spencer, Alana K. Simorellis, Wade D. Van Horn, Peter F. Flynn
 Changes in configurational entropy on protein-ligand binding based on multiple molecular dynamics simulations
Joslyn Yudenfreund Kravitz, Benjamin J. Killian, Yuan-Ping Pang, Michael K. Gilson
 Computational and theoretical study of translocation in T7 RNA polymerase
Hyung-June Woo
 Computational redesign of human H ferritin: A biotemplate for noble metal nanoparticles
Seung-gu Kang, Christopher A. Butts, Joe Swift, Ivan J. Dmochowski, Jeffery G. Saven
 Effect of secondary structure on the electronic excited state dynamics of d(GC)9
Kimberly D de La Harpe, Carlos E Crespo-Hernández, Bern Kohler
 Epsin is the adaptor for clathrin mediate endocytosis of influenza virus
Chen Chen, Xiaowei Zhuang
 Gold nanoparticles functionalized with surface active β- and γ-CDs: Redox and photophysical properties
Reena Marthi, Robert J Forster, Tia E. Keyes
 Hyperpolarized 129Xe nuclear magnetic resonance investigation of molecularly organized nanostructural materials
Li-Qiong Wang, Shane Pawsey, Igor Moudrakovski, Jesse L. C. Rowsell, Gregory J. Exarhos, John Ripmeester, Omar M. Yaghi, Yongsoon Shin
 Microsolvation of the dicyanamide anion: [N(CN)2–](H2O)n (n = 0–12)
Xue-Bin Wang, Barbara Jagoda-Cwiklik, Hin-Koon Woo, Jie Yang, Guan-Jun Wang, Mingfei Zhou, Pavel Jungwirth, Lai-Sheng Wang
 Molecular dynamics simulations of cellulose degrading enzymes
Yolanda A. Small, James W. Davenport
 Molecular solvation in ionic liquids: Restocking the conceptual toolbox
Mark N. Kobrak
 New coarse-grained model of ATP-driven molecular machines
Kenji Yoshimoto, Charles L. Brooks III
 New perspectives on fluorescence probes for protein single molecule spectroscopy
Franziska Luschtinetz, Carsten Dosche, Michael U. Kumke
 Quantum chemical molecular dynamics Simulations of fullerene formation during benzene combustion
Biswajit Saha, Stephan Irle, Keiji Morokuma
 Studies on phototherapy: Psoralen
Luis Serrano-Andrés, Manuela Merchán, Juan José Serrano-Pérez
 Surface enhanced Raman and infrared spectroscopy (SERS and SEIRA) of ibuprofen intercalated hybrid bilayer nanoshells
Janardan Kundu, Carly S Levin, Benjamin G Janesko, Gustavo E Scuseria, Robert Raphael, Naomi J Halas
 Temperature-dependent probabilistic roadmap: Algorithm for calculating variationally optimized conformational transition pathways
Haijun Yang, Hao Wu, Dawi Li, Li Han, Shuanghong Huo
 Toward developing an ab initio theory for nuclei in thermodynamics
Kin-Yiu Wong
 Ultrafast nonradiative deactivation dynamics of electronically excited nucleobases: Resolution of the gas vs. solution phase mystery
Nina K. Schwalb, Friedrich E. E. Temps
 Use of the solute partitioning model to predict or interpret Hofmeister effects on biopolymer processes
Laurel M. Pegram, M. Thomas Record Jr.
 Vapor characterization and explosive detection near 700 cm-1
Scott W. Reeve, Alan R. Ford

Symposium Grid -- Division of Physical Chemistry -- Session Listing

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007