| PHYS | Monday, March 24, 2003 | ||
8:00 PM-10:00 PM Convention Center -- Hall G,Sci-Mix | |||
Sci-Mix | |||
| Organizer: | James L Skinner | ||
| 242 | Predicting molecular hyperpolarizabilities: Is semiquantitative the best we can do? Shawn B. Allin | ||
| 257 | A direct INDO/SCI method for excited-state calculations Aimee L Tomlinson, David Yaron | ||
| 258 | Effects of H2O on gold cluster adsorption activity William T. Wallace, Robert L. Whetten | ||
| 259 | Photodissociation dynamics of ethyl ethnyl ether: A new ketenyl radical precursor Maria J. Krisch, Johanna L Miller, Laura R. McCunn, Laurie J. Butler, Hongmei Su, Richard Bersohn, Jinian Shu | ||
| 262 | Photodissociation of CF2ClBr at the 267-nm region Jianhua Huang, Dadong Xu, Joseph S. Francisco, William M Jackson | ||
| 264 | Toward more accurate computational methods to predict C-13 chemical shifts: A study of 2,2,4-trimethylpentane-1,3-diol Aleksey Pisarenko, James B. Foresman, Donald Clarke | ||
| 265 | Infrared diode laser spectroscopy of jet-cooled organometallics Scott W. Reeve, William A. Burns, Kyle S. Trauth | ||
| 266 | Products of high-velocity O-ethylene collisions detected via time-resolved FTIR emission spectroscopy James A. Dodd, Karen J. Castle, Eunsook S. Hwang, Gary D. DeBoer | ||
| 271 | Quasiclassical state-selected trajectory study of the O + H3+ reaction Charles W. Eaker | ||
| 274 | Reaction kinetics of the isomerization of 1,1,2,2-tetramethylcyclopropane Kyle Parcella, Timothy Gray, Bansi L. Kalra, Trupti Guhan, David K. Lewis | ||
| 275 | Reconstruction of superexcited-state potential energy curves of HCl Hans-Peter Loock, Sergei Manzhos, Constantin Romanescu, Dmitrii Boldovsky | ||
| 276 | Response-surface geometry optimization in quantum Monte Carlo: Application to formaldehyde Charles A. Schuetz, Michael Frenklach, Alexander C. Kollias, William A. Lester Jr. | ||
| 278 | SOX on VOX: Oxidation-state tuning of the adsorption of SO2 on vanadium-oxide cluster anions Richard B Wyrwas Jr., Robert L. Whetten, Andrew J. Leavitt | ||
| 279 | Spectroscopic and electrical properties of ground state NaH: Extrapolation to the complete basis set limit Brian K. Taylor | ||
| 283 | Thermochemistry of hydrocarbon ions, CnHm+ (n = 3–9), in the gas phase Skip Williams, Thomas M. Miller, Anthony Midey, Albert A. Viggiano | ||
| 285 | Velocity map imaging of the photodissociation of CF3I: Vibrational energy dependence of the recoil anisotropy Fernando Aguirre, Stephen T. Pratt | ||
| 286 | Vibrational excitation mechanism for HCN in a pulsed-IR laser field using Floquet and Fourier analyses Mark A. Rickard, Bridget L. Gourley | ||
| 289 | Electronic spectrum of dimethylcadmium cations in a free-jet expansion Fred J. Grieman, Rachel M. Stephenson, Brent G. Riffel | ||
| 290 | Quantum Monte Carlo Study of the pi->pi transition in ethylene Ouafae El Akramine, Alexander C. Kollias, William A. Lester Jr. | ||
| 292 | Estimates of the ab initio limit for pi-pi interactions and their role in molecular recognition Mutasem Omar Sinnokrot, Edward F. Valeev, C. David Sherrill | ||
| 297 | Fourier transform emission spectroscopy of the [12.3]2S+ – X 2P1/2 transition of NiCl Corey A. Rice, Leah C. O'Brien | ||
| 300 | In search of covalently bound tetra- and penta-oxygen clusters Ben M. Elliott, Alexander I. Boldyrev, Lai-Sheng Wang, Hua-Jin Zhai, Xin Yang, Xue-Bin Wang | ||
| 302 | Investigating hydrogen-bonding systems using computational methods Katie R. Mitchell, A. S. Borovik, Ward H. Thompson | ||
| 303 | Ion pair imaging spectroscopy with DC slice maging Michael P Minitti, Dave Townsend, Arthur G. Suits | ||
| 304 | IR-VUV and VUV-IR photoinduced Rydberg ionization of Ar and C2H2 Ximei Qian, Andy Kung, C. Y. Ng | ||
| 313 | Conformational studies of benzyl compounds Karissa A. Utzat, Robert K. Bohn, H. Harvey Michels | ||
| 315 | Dependence of the catalytic activity of the 3-D transition-metal sulfides on their electronic structure Raúl Oviedo-Roa, Luis Antonio Pérez, José-Manuel Martínez-Magadán, Octavio Novaro | ||
| 320 | Computational ground-state structures of benzene-13: A reconsideration David C. Easter | ||
| 321 | Atomic oxygen beam source for investigating high-energy O + hydrocarbon reactions Steven D. Chambreau, Eunsook S. Hwang, James A. Dodd | ||
| 326 | A TDDFT study of the low-lying excited states of coumarins 102, 152, 153, and 343 Robert J. Cave, Edward W. Castner Jr. | ||
| 328 | Identification of Se substitution location in Ge4S9Se14- clusters using ab initio vibrational calculations and FT-Raman spectroscopy Scott J. Kirkby | ||
| 329 | Ab initio studies of ß-aminocyclopropane carboxylic acids James L. Meeks, Krista L. Adams, Harry B. Fannin | ||
| 342 | Solvation in water at elevated temperatures J. Duan, Hyung Kim | ||
| 347 | Ultrafast infrared spectroscopy of vibrational and rotational relaxation of pseudohalide ions in reverse micelles Qun Zhong, Andrew P. Baronavski, Jeffrey C. Owrutsky | ||
| 349 | An FT-IR study of crown ether complexation with water in liquid and supercritical CO2 Anne F. Rustenholtz, John L. Fulton, C. M. Wai | ||
| 353 | Control of intermolecular electron-transfer reactions in liquid-crystalline solvent at the point of phase transition Mark Lilichenko, Dmitry Matyushov | ||
| 354 | Dynamics of ultrafast proton transfer in 1-acylaminoanthraquinones Sarah J. Schmidtke, David F. Underwood, David A. Blank | ||
| 370 | Influence of pressure on liquid-liquid immiscibility in n-alkane/n-perfluoroalkane/carbon dioxide mixtures Ling Zhang, J. Ilja Siepmann | ||
| 373 | Terahertz spectroscopy of crown ethers in solution Timothy M. Korter, Matthew C. Beard, William T. Lotshaw, Lawrence K. Iwaki, Edwin J. Heilweil | ||
| 381 | Computer simulation studies of fluorosurfactant-based reverse micelles in supercritical carbon dioxide Sanjib Senapati, Max L Berkowitz | ||
| 383 | Brownian dynamics simulation of model PDC109 in water Hyung J Kim, Hyun J Kim, Y. Shim, M Y Choi, Miguel Llinas | ||
| 386 | Quantum molecular dynamics simulation of the interaction between a-hematite surface and imidazoline molecules Fernando Alvarez Ramírez, Isidoro García-Cruz, Gustavo Tavizon, José-Manuel Martínez-Magadán | ||
| 387 | Study of the interaction between FeS surface and Mullins and Zajac asphaltene models Fernando Alvarez Ramírez, Isidoro García-Cruz, Gustavo Tavizon, José-Manuel Martínez-Magadán | ||
| 388 | Surface-enhanced Raman spectra of aqueous cyanide adsorbed onto metal colloids Michael B. Jacobs, Paul W. Jagodzinski | ||
| 389 | Surface-enhanced Raman spectra of pyridine using different metal surfaces: Evidence for the formation of Á-pyridyl at ambient conditions Chen Zuo, Paul W. Jagodzinski | ||
| 395 | Patterned electrodes for the fabrication of controlled-movement polymer transducers Lakshmi Supriya, Richard O. Claus | ||
| 398 | Structure-property studies of conjugated oligomers: From single molecules to films Melissa A. Summers, Michael T. Bowers, Guillermo C. Bazan, Steven K. Buratto | ||
| 399 | Photoelectrochemical water splitting from spray pyrolytically fabricated nanocrystalline p-Fe2O3 William B. Ingler Jr., Shahed U.M. Khan | ||
| 400 | Screening for Ge4X104- (X = S, Se) adamantanoid cluster synthesis using ab initio vibrational calculations and FT-Raman spectroscopy Scott J. Kirkby | ||
| 401 | Spectroscopy of single-fluorene copolymers Robin K. Lammi, Paul F. Barbara | ||
| 405 | Vibrational quenching of fluorescence in zeolites by adsorbed dihydrogen and hydrogen deuteride: Chemical hole burning Ray L. Sweany, Jason M. Bono | ||
| 408 | Molecular polarizabilities of model carbon nanotubes from atomic increments Francisco Torrens | ||
| 409 | Self-assembly of semiconductor nanoparticles into superlattice Daniel L. Akins, Wei Xu, Stephen P. O'Brien, Limin Huang, Ming Yin | ||
| 413 | Catalytic activity of molybdenum disulfide nanotubes inferred from their electronic structure Luis Antonio Pérez, Raúl Oviedo-Roa, José-Manuel Martínez-Magadán | ||
| 414 | Si-29 MAS NMR and XRD studies of solid-state cation migration through zeolite materials Susan M. Neugebauer Crawford, Jacqueline R. Houston | ||
| 415 | Si-29 studies of Ni(II)and Cu(II)cation migration through zeolites ZSM-5 and mordenite Susan M. Neugebauer Crawford, Nicole M. Leonard | ||
| 417 | Synthesis of cobalt nitrate hydrate nanoparticles using laser vaporization controlled condensation Garry P. Glaspell II, Paul W. Jagodzinski, A. Manivannan | ||
| 418 | The catalytic cracking of n-dodecane in the supercage of the HUSY zeolite José-Manuel Martínez-Magadán, Fernando Alvarez Ramírez, Octavio Novaro | ||
| 421 | Dynamics of the capillary rise in nanocylinders and nanoporous materials Lev D Gelb, Alicia C Hopkins | ||
| 427 | Self-assembled FePt nanoparticles for granular thin-film magnetic recording media David E Nikles, J. W. Harrell, Shishou Kang, Xiangcheng Sun | ||
| 430 | EPR studies of [Os2(hpp)4Cl2](PF6), the first structurally confirmed M27+ paddlewheel Ashley C. Stowe, Naresh Dalal, Penglin Huang, Carlos A. Murillo, Xiaoping Wang, F. A. Cotton | ||
| 433 | Synthesis, self-assembly, and magnetic properties of FePtCu nanoparticles Xiangcheng Sun, David E Nikles, Jing Li, ZhongLin Wang | ||
| 437 | Ab initio molecular dynamics simulation of the interaction between a-hematite surface and different asphaltene molecular models Fernando Alvarez Ramírez, Isidoro García-Cruz, Gustavo Tavizon, José-Manuel Martínez-Magadán | ||
| 439 | Inelastic neutron spectroscopy of organic hydrocarbons Jennifer A. Ciezak, Bruce S. Hudson, Timothy A. Jenkins, Damian Allis | ||
| 442 | Colloidal III-nitride quantum dots: Synthesis and characterization P. Gregory Van Patten, Guiquan Pan | ||
| 444 | Symmetric hydrogen bonds Timothy A. Jenkins, Bruce S. Hudson | ||
| 450 | Time-resolved infrared studies of RecA James A. Bailey, Gina MacDonald | ||
| 455 | Net charge center: A new physicochemical model of protein function for structural genomics and bioinformatics Ivan Y. Torshin, Robert W. Harrison, Irene T. Weber | ||
| 456 | Polyproline-II conformation of alanine dipeptide determined by liquid-crystal NMR James C. Weisshaar, Christoph Weise | ||
| 457 | Infrared studies of nucleotide binding to RecA Catherine M. Schwartz, Jennifer A. Rudnick, Gina MacDonald | ||
| 460 | Modeling cyclic dipetides and calculations of their UV CD spectra Kristine L. Carlson, Mark R. Hoffmann, Kathryn A Thomasson | ||
| 461 | Conformational analysis of histamine tautomers Albert A. DeFusco III, Kenneth D. Jordan | ||
| 465 | Thermodynamics of metabolism from the point of view of semigrand partition functions Robert A. Alberty | ||
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003