| PHYS | Wednesday, March 26, 2003 | ||
7:30 PM-10:00 PM Convention Center -- Hall J,Poster | |||
Physical Chemistry Poster Session | |||
| Gas-Phase Dynamics and Structure | |||
| Organizer: | James L. Skinner | 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 |
260 | Photoelectron imaging spectroscopy of molecular and cluster anions Eric Surber, Andrei Sanov, Richard Mabbs |
261 | Paper Withdrawn | 262 | Photodissociation of CF2ClBr at the 267-nm region Jianhua Huang, Dadong Xu, Joseph S. Francisco, William M Jackson |
263 | Testing the morphed potential of Ar:HBr using frequency and phase-stabilized FASSST with a supersonic jet Blake A. McElmurry, Sergey P. Belov, John Bevan, Robert R. Lucchese, Igor Leonov |
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 |
267 | Pulsed supersonic flow kinetic studies of radicals at interstellar temperatures Christopher Mullen, Mark Smith |
268 | Molecular modeling of hydrogen-bonded interactions Brian H. Nordstrom |
269 | Radical photoionization studies with VUV synchrotron radiation Christophe Nicolas, Darcy S. Peterka, Musahid Ahmed, Lionel Poisson, Branko Ruscic, Xiaonan Tang, Tao Zhang, Melita L. Morton |
270 | Quantum Monte Carlo study of the electronic structure of free-base porphyrin Ouafae El Akramine, Alan Aspuru-Guzik, Jeffrey C. Grossman, William A. Lester Jr. |
271 | Quasiclassical state-selected trajectory study of the O + H3+ reaction Charles W. Eaker |
272 | Near-infrared laser spectroscopy of CoI Ally Lai Wong, Wilson Wai Shun Tam, Joanne Wing Har Leung, A. S. C. Cheung |
273 | Raman spectra of vapors at elevated temperatures Jaan Laane, Daniel Autrey, Zane Arp, Kristjan Haller, Kevin Morris, Amanda Combs |
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. |
277 | Rydberg fingerprint spectra of monocyclic and bicyclic molecules Narayanan Kuthirummal, Jaimie L. Gosselin, Peter M. Weber |
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 |
280 | Spectroscopy of NiCl: Identification of a [9.1]2p3/2 state Sinan Tumturk, Leah C. O'Brien |
281 | The kinetics of methyl loss from ethylbenzene and xylene ions: The tropylium versus benzylium story revisited Karl-M Weitzel, Marcus Malow, Martin Penno |
282 | Theoretical study of the noble-gas compounds HKrF and HKrCl James J. Seals III, Scott Yockel, Angela K. Wilson |
283 | Thermochemistry of hydrocarbon ions, CnHm+ (n = 3–9), in the gas phase Skip Williams, Thomas M. Miller, Anthony Midey, Albert A. Viggiano |
284 | Unimolecular rate constant for the HF elimination from chemically activated CF3CHFCF3 Brooke M. Sibila, Michael Roach, George L. Heard, Bert E. Holmes |
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 |
287 | Vibrational overtone transitions of hydrofluoropropanes and ethanes Jason S. Leith, Adam H. Steeves, James R. Apgar, Brian G. Saar, Saroj Bhattarai, John W. Thoman Jr. |
288 | Dynamics of charge-transfer-to-solvent precursor states in halide-solvent clusters Qadir K. Timerghazin, Gilles H. Peslherbe |
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. |
291 | Separation of conventional and distonic radical cations of CH3–X using nitrogen-cooled ion mobility time-of-flight mass spectrometry Guido F. Verbeck, David H. Russell |
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 |
293 | Experimental rate constants and branching ratios for unimolecular decomposition of chemically activated C(CH3)3CH2Cl and C(CH3)3CD2Cl: Evidence for 1,1-DCl and 1,3-HCl eliminations Carmen E. Lisowski, Keith E. Krumpe, George L. Heard, Bert E. Holmes |
294 | Experimental rate constants, branching ratios, and kinetic isotope effects for unimolecular decomposition of chemically activated CHF2CH2Cl and CHF2CD2Cl Melinda R. Beaver, Bert E. Holmes |
295 | Finite temperature properties of (CO2)n clusters Hanbin Liu, Kenneth D. Jordan |
296 | First direct measurement of the rate constant for the reaction Cl + CH3 and a reexamination of its role in perturbing laboratory measurements of the important stratospheric reaction of Cl + CH4 James K. Parker, Louis J. Stief, Walter Payne, Regina Cody, Fred Nesbitt |
297 | Fourier transform emission spectroscopy of the [12.3]2S+ – X 2P1/2 transition of NiCl Corey A. Rice, Leah C. O'Brien |
298 | HOC+ + H2 isomerization rate at 25K: Implications on the observed [HCO+]/[HOC+] ratios in the interstellar medium Mark Smith, Stephen Schlemmer, Jan von Richthofen, Dieter Gerlich |
299 | Imaging studies of helium nanodroplets Darcy S. Peterka, Lionel Poisson, Albrecht Lindinger, Musahid Ahmed, Daniel M. Neumark |
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 |
301 | Internal temperature of laser-evaporated liquid aerosol droplet measurements with VUV photoionization using a "chemical thermometer." Tomas Baer, Roger E. Miller, Ephraim Woods III |
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 |
305 | Isomerization of benzene radical cation: Binding energies and structures of benzene cluster ions M. Samy El-Shall, Mark, J. Rusyniak, Yahya, M. Ibrahim |
306 | Kinetics of Cl atom reactions with cyclic ethers Michelle Quant, Rachel Kelley, Scott Hewitt |
307 | Kinetics of the CCO + NO reaction Dave Thweatt, Mark A. Erickson, John F. Hershberger |
308 | Kinetics of the reactions of Cl atoms with naphthalene and alkylnaphthalenes Claudia Quant, Xingyu Peng, David Coulson, Michelle Luu, Scott Hewitt |
309 | Kinetics of the SiH3 + H2O2 and SiH3 + O2 reactions Justin P. Meyer, John F. Hershberger |
310 | Laplace transform perturbative triples correction ansatz: Application to organometallic compounds Pere Constans, Gustavo E Scuseria |
311 | Mode-dependent vibrational autoionization in nitrogen dioxide Patrice Bell, Fernando Aguirre, Edward R. Grant, Stephen T. Pratt |
312 | Computational study of the 1,1-HX and –DX (X = F, Cl, and Br) elimination from halomethanes Michael Roach, George L. Heard, Bert E. Holmes |
313 | Conformational studies of benzyl compounds Karissa A. Utzat, Robert K. Bohn, H. Harvey Michels |
314 | Convergence of CCSD(T) and full CI spectroscopic constants for BH, CH+, and NH Berhane Temelso, C. David Sherrill |
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 |
316 | Different bonding behavior of nitrogen vs phosphorus: A density functional theory study Brock Adams, Wei Chhen Chai, Katie Kavulla, Daisy Y. Zhang |
317 | Dissociation channels of the 1-buten-2-yl radical: An experimental and ab initio study Johanna L. Miller, Maria J. Krisch, Laurie J. Butler, Jinian Shu |
318 | Dissociation pathways of nitrogen-oxygen molecules Douglas L Strout, Lana Y Bruney |
319 | Dissociative photoionization dynamics in ethane studied by velocity map imaging Wen Li, Lionel Poisson, Darcy S Peterka, Musahid Ahmed, Arthur G. Suits |
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 |
322 | Energy barriers to [1,3]hydrogen-transfer reactions found using valency interaction formulas compared to MO theories and experiment Joseph D. Alia |
323 | Calculating the atomic mass of bromine Neil P. Larson, Fred Hilgeman |
324 | CF3CFHO vs CH3CH2O: An ab initio molecular orbital study of mechanisms and kinetics of C–C bond scission and reaction with O2 Jonathan E. Stevens, Olga Radkevich, Jessica Brown |
325 | Aromaticity and antiaromaticity in small boron clusters and related compounds Anastassia N. Alexandrova, Alexander I. Boldyrev, Huili Zhai, Lai-Sheng Wang |
326 | A TDDFT study of the low-lying excited states of coumarins 102, 152, 153, and 343 Robert J. Cave, Edward W. Castner Jr. |
327 | A theoretical study of the reactions of carbonyl oxide with water and water dimer Andrew Borisovich Ryzhkov, Parisa Ariya |
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 |
330 | Cation-£k interactions in substituted aromatic complexes: An experimental and theoretical study of Ag(I)-alkylbenzenes and substituted naphthalenes Y.P. Wong, H.M. Lee, Ida N.L. Ma, C.W. Tsang |
331 | Paper Withdrawn | 332 | Full-dimensional inelastic scattering between H2 using Chebyshev propagation Shiying Lin, Hua Guo |
333 | Multiconfiguration time-dependent Hartree method applied to intramolecular and intermolecular energy redistribution of molecules Fabien Gatti, Christophe Iung, Hans-Dieter Meyer |
Previous Session -- Physical Chemistry Poster Session -- Next Session
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003