Division of Physical Chemistry

218^th ACS National Meeting, New Orleans, LA

August 22-26, 1999

Water and Water Clusters I

9:40 3. Perturbation of water networks by anions and an excess electron. P. Ayotte, J. Kim, G. Weddle, M. Johnson, J. A. Kelley

10:00 4. Determining hydration forces in model protein-like systems. T. Head-Gordon

10:20 Intermission

10:40 5. Unsolved mysteries of water in its liquid and glassy phases. H. E. Stanley, O. Mishima, M. R. Sadr-Lahijany, A. Scala, F. W. Starr

11:20 6. The water dimer vibration-rotation spectrum: Influence of the internal motions. C. J. Leforestier

Section B

J. Pojman, Organizer, Presiding

8:10 Introductory Remarks by J. Pojman

8:20 7. Noise driven avalanche behavior in subexcitable media. K. Showalter

9:00 8. Waving in the Distance. M. Eiswirth, J. Christoph, P. Strasser

9:40 9. Wave propagation in media with nonuniform and disordered excitability. F. Sagues, D. Vives, J. M. Sancho, J. Casademunt, L. Ramµirez-Piscina, I. Sendiña-Nadal, V. Pµerez-Muñuzuri, M. Gomez-Gesteira

10:20 Intermission

10:40 10. Calcium wave pattern formation and stability in ƒXenopusÅ oocytes. M. Falcke, J. L. Hudson, P. Camacho, J. D. Lechleiter

11:20 11. Universal dispersion relation of chemical waves in excitable media. V. Gaspar, R. Toth, A. Belmonte, J-M. Flesselles

11:40 12. A study of the waves in the Belousov-Zhabotinsky reaction using UV-Vis spectroscopy. E. Steimle, L. H. Garcia-Rubio, J. L. F. Porteiro

Section C

S. Mukamel, Organizer
G. R. Fleming, Organizer
D. S. Chemla, Organizer
S. Weiss, Presiding

8:20 13. Structural features and antenna effect of inclusion complexes with fluorescent dyes in multichromophoric cyclodextrins. L. Jullien, M. N. Berberan-Santos, P. Choppinet, A. Fedorov, B. Valeur

9:00 14. Molecular design and functions of light-harvesting dendrimers. T. Aida, D-L. Jiang, T. Sato, T. Takayama

9:40 15. Phenylacetylene Dendrimers: Supramolecules or Molecular Aggregates? S. Mukamel, V. Chernyak, S. Tretiak, E. Poliakov

10:20 Intermission

10:40 16. Geometric versus energetic competition in light harvesting by dendrimers. J. Klafter, A. Bar-Haim

11:20 17. Dendrimer photoantenna supermolecules: energetic funnels, exciton hopping, and unusual excimer formation. R. Kopelman, S. Swallen, J. S. Moore, Z. Zhu

12:00 18. Mesoscopic cooperative emission from a disordered system. T. Shahbazyan, M. E. Raikh, Z. V. Vardeny

Section A

T. Head-Gordon, Presiding

1:20 19. Transition pathways of protons in water. D. Chandler, C. Dellago, P. L. Geissler

2:00 20. Pair and Three-body Interactions in Water probed by Cluster Spectra; Theory that provides the Key. G. C. Groenenboom, M. Geleijns, P. E. S. Wormer, A. van der Avoird

2:40 21. Water clusters: elucidating mechanisms of heterogeneous atmospheric chemistry. J. J. Gilligan, B. L. Leskiw, R. S. MacTaylor, A. W. Castleman, Jr.

3:00 22. Reaction mechanisms at the surfaces of ice and water relevant for stratospheric ozone depletion. J. T. Hynes, R. Bianco

3:20 Intermission

3:40 23. Molecular clusters as probes of water‘s hydrogen bonding to nature‘s building blocks. T. S. Zwier, J. R. Carney, G. M. Florio, C. J. Gruenloh, B. Quimpo

4:20 24. The pH of water. A. D. J. Haymet

Section B

I. R. Epstein, Organizer, Presiding

1:20 25. Cooperative phenomena from convective instabilities. R. H. Simoyi

2:00 26. Computational Modeling of Convective Chemical Waves. D. A. Vasquez

2:40 27. The influence of surface-tension-induced convection on a propagating front. H. M. Wilke

3:20 Intermission

3:40 28. Viscous fingering in reaction-diffusion systems. A. De Wit, G. M. Homsy

4:00 29. Numerical evidence of stationary and breathing concentration patterns in the Oregonator with equal diffusivities. J. D. Dockery, R. J. Field

4:20 30. Oscillatory Chemical Kinetics with Stochastic Feedback. D. A. Browne, K. E. Bassler

4:40 31. Frontal polymerization in microgravity. J. A. Pojman, V. I. Volpert, H. M. Wilke, Y. Chekanov, J. Masere, W. Ainsworth, V. Nguyen, J. Warren

Section C

M. A. Ratner, Presiding

1:20 32. Optically excited states in well-defined pigment-protein complexes: Experiment and theory of intermolecular interactions. T. J. Aartsma

2:00 33. Excitation energy transfer and trapping in photosystem 1. R. van Grondelle, B. Gobets, J. Ihaininen, J. P. Dekker

2:40 34. Photosynthetic reaction center mimics. Special pair formation in synthetic polypeptide aggregates. G. Jones II, V. I. Vullev

3:00 35. Two-color pump-probe spectroscopy and the exciton delocalization length in molecular assemblies. L. D. Bakalis, J. Knoester

3:20 Intermission

3:40 36. Electronic excitation transport and trapping in wild-type and mutant Photosystem I from Synechocystis sp. PCC 6803. W. S. Struve, S. Savikhin, P. R. Chitnis, W. Xu

4:20 37. Two-dimensional Fourier transform electronic spectroscopy of aggregates. D. M. Jonas, J. D. Hybl, S. M. Gallagher Faeder, A. W. Albrecht

4:40 38. Disentangling energy transfer dynamics in photosynthetic light-harvesting antennae. G. D. Scholes, G. R. Fleming

5:00 39. Studies of organized porphyrin arrays on biochemical templates. R. F. Pasternack, E. J. Gibbs, P. J. Collings, J. C. DePaula

Section A

D. G. Truhlar, Organizer, Presiding
L. J. Butler, Organizer

8:40 40. Electronically non-adiabatic transitions in molecular photodissociation processes. G. G. Balint-Kurti

9:20 41. The effects of nonadiabatic coupling in the H + D¬2Ã -> HD + D reaction at high collision energies. B. K. Kendrick

10:00 42. The competition between adiabatic and non-adiabatic dynamics in the photofragmentation of ammonia. J. P. Reid, R. A. Loomis, S. R. Leone

10:20 Intermission

10:40 43. Non-adiabatic effects in the photodissociation of polyatomic molecules. R. Schinke

11:20 44. Non adiabatic effects in photodissociation and elementary chemical reactions. H-J. Werner, D. Simah, B. Hartke

Section B

V. Volpert, Organizer, Presiding

8:20 45. Patterns and fronts: how can they form in One Sided Fed Reactors? J. Boissonade, P. Blanchedeau, P. De Kepper

9:00 46. Control of Oscillations and Turing Structures in the Chlorine Dioxide-Iodine-Malonic Acid Reaction by Illumination. A. M. Zhabotinsky, A. P. Munuzuri, A. K. Horvath, M. Dolnik, I. R. Epstein

9:40 47. Cellular Acidity Fronts. &. Tµoth, D. Horvµath

10:20 Intermission

10:40 48. Resonant pattern formation in an oscillatory chemical reaction-diffusion system. A. L. Lin, K. Martinez, M. Bertram, H. L. Swinney, A. Ardelea, G. F. Carey

11:20 49. Fixation of dissipative structures as microscopic polymer patterns. O. Karthaus, T. Koito, N. Maruyama, M. Shimomura

11:40 50. Complex pattern formation in the polyacrylamide-methylene blue-oxygen reaction. O. Steinbock

Section C

R. Kopelman, Presiding

8:20 51. Molecular and supramolecular engineering of push-pull chromophores for nonlinear optics: design and applications. M. H. Blanchard-Desce, V. Alain, M. Barzoukas, R. Wortmann, S. Lebus, K. Lukaszuc, P. Günter, C. Bosshard, U. Gubler

9:00 52. Photoexcitation dynamics and laser action in polydialkylfluorene films: Influence of low temperature aggregates formation. Z. V. Vardeny

9:40 53. Modeling chromophore-chromophore interactions using paracyclophane derivatives. G. C. Bazan, W. J. Oldham, S. Wang, T. Sergei, S. Mukamel

10:20 Intermission

10:40 54. Coherent and Incoherent Charge Transfer: Bridges and Bus Stops. M. A. Ratner

11:20 55. Intra-chain and inter-chain excitations in light-emitting polymers: A photoluminescence study. G. Rumbles, I. D. W. Samuel, A. B. Holmes, S. C. Moratti, P. F. Miller, C. J. Collison

12:00 56. Aggregates of Conjugated Polymers and Oligomers: A Theoretical Investigation . F. C. Spano, M. S. Siddiqui

Section D

A. W. Castleman, Jr, Presiding

8:20 57. Water in the gaseous and in condensed phases. M. Parrinello

9:00 58. Approaching water through clusters. J. V. Coe, M. H. Cohen, M. D. Tissandier, S. J. Singer, T. R. Tuttle, K. H. Bowen

9:40 59. Quantifying the Water Force Field: Terahertz and IR Cavity Ringdown Spectroscopy Results for Water Clusters. R. J. Saykally

10:00 60. Terahertz time-domain spectroscopy of condensed-phase water clusters. J. Boyd, D. Mittleman, V. Colvin

10:20 Intermission

10:40 61. The structure of water near ions and molecules: recent developments. A. K. Soper

11:20 62. Critical issues in the understanding and modeling of collective effects in water. S. S. Xantheas

Section A

L. J. Butler, Organizer, Presiding

1:20 63. Semiclassical studies of electronically nonadiabatic photodissociation and recombination dynamics of I¬3ÿ-¡ in water clusters. D. F. Coker, C. J. Margulis

2:00 64. A comparison of semiclassical trajectory methods with quantum mechanics for a variety of electronically nonadiabatic systems. M. D. Hack, A. W. Jasper, Y. L. Volobuev, M. S. Topaler, D. W. Schwenke, D. G. Truhlar

2:40 65. Semiclassical surface hopping methods for quantum transitions in condensed phase systems. M. F. Herman

3:20 Intermission

3:40 66. Combining quantum chemistry and dynamics: applications to organic photochemistry. M. A. Robb, M. J. Bearpark, F. Bernardi, M. Garavelli, P. A. Hunt, F. Jolibois, M. Olivucci, A. Sanchez-Galvez

4:20 67. Classical description of nonadiabatic photoreactions. G. Stock

Section B

O. Steinbock, Presiding

1:20 68. Diffusive and hydrodynamic instabilities in flames. P. D. Ronney

2:00 69. Hopping motion in a chemically reacting system. M. Gorman, A. Palacios

2:40 70. Interaction of counterpropagating hot spots in solid fuel combustion. A. Bayliss, B. J. Matkowsky

3:20 Intermission

3:40 71. Spin head-doubling behavior in frontal polymerization of multifunctional acrylates. J. Masere, F. D. Stewart, T. Meehan, J. A. Pojman

4:00 72. Control of chemical waves by an external electric field. H. Sevcikova

4:20 73. Thermal Microstructure and Efficient Kinetics of High-Temperature Reaction Waves in Heterogeneous Media. A. S. Rogachev, V. V. Aleksandrov, H. E. Grigoryan

4:40 74. Peculiarities of frontal regimes: kinetics of metal-containing monomers in the (co)polymerization in the solid phase. S. I. Evstratova, B. M. Zuev, G. I. Dzhardimalieva, I. E. Uflyand, A. D. Pomogailo

Section C

G. C. Bazan, Presiding

1:20 75. Semiconductor nanocrystals as fluorescent biological labels. A. P. Alivisatos, S. Weiss

2:00 76. Single Molecule Spectroscopy of Conjugated Polymers. P. F. Barbara, D.Hu, J. Yu

2:40 77. è-Conjugation Attenuated Photoconducting Polymers as An Ensemble of Chromophores . L. X. Chen, W. J. H. Jäger, D. J. Gosztola, M. P. Niemczyk, M. R. Wasielewski

3:00 78. Dynamical effective medium model of metal nanosphere aggregates. A. A. Lazarides, G. C. Schatz

3:20 Intermission

3:40 79. Single molecule SERS in compact aggregates of Ag particles. L. Brus

4:20 80. Observing single biomolecule reactions. S. Weiss, M. Dahan, T. Lacoste, J. Glass, T. Laurence, D. S. Chemla, A. Deniz, A. Ting, J. Grunwell, A. E. Faulhaber, P. G. Schultz

5:00 81. Withdrawn.

Section D

J. M. Lisy, Presiding

1:20 82. Geometrical cooperativity and phase transitions in low temperature water: an approach to the ideal glass. C. A. Angell, C. T. Moynihan

2:00 83. Kinetics of trace gas mass accommodation and reaction on atmospheric water and water/acid surfaces. C. E. Kolb, D. R. Worsnop, J. T. Jayne, Q. Shi, J. Cheung, J. Boniface, M. Gersherzon, P. Davidovits

2:40 84. Photodetachment in liquid water . S. E. Bradforth, V. A. Lenchenkov, J. A. Kloepfer, V. H. Vilchiz

3:00 85. Dynamics and Structural Details of Amorphous Ice by Incoherent Inelastic Neutron Scattering. D. D. Klug, C. A. Tulk, E. C. Svensson, C. K. Loong

3:20 Intermission

3:40 86. Model for supercooled liquid and the transition to another apparently amorphous condensed phase. D. Kivelson

4:20 87. Liquid water dynamics; fluctuation, chemical reactions and freezing. I. Ohmine

Section A

G. C. Schatz, Presiding

21. See previous listing.

210. See subsequent listing.

213. See subsequent listing.

218. See subsequent listing.

221. See subsequent listing.

230. See subsequent listing.

243. See subsequent listing.

262. See subsequent listing.

265. See subsequent listing.

304. See subsequent listing.

298. See subsequent listing.

323. See subsequent listing.

335. See subsequent listing.

341. See subsequent listing.

347. See subsequent listing.

351. See subsequent listing.

357. See subsequent listing.

379. See subsequent listing.

88. NLO properties of inorganic complexes. T. Zhou, T. Cundari, H. Kurtz

Section A

W. M. Jackson, Presiding

8:40 89. Electronic structure methods for nonadiabatic processes. M. P. Head-Gordon

9:20 90. Non-adiabatic reaction dynamics in F + n-H¬2Ã from IR laser based state-to-state reactive scattering studies. D. J. Nesbitt

10:00 91. Nonadiabatic product branching and emission spectra of dissociative molecules with NO¬2Ã and NR¬2Ã functional groups. L. J. Butler, B. F. Parsons, S. L. Curry, J. A. Mueller, P. C. Ray, N. R. Forde, M. L. Morton

10:20 Intermission

10:40 92. The nonadiabatic dissociation dynamics of CH¬2ÃBrCl. S. W. North, W. S. McGivern, R. Li, P. Zou

11:20 93. Prereactive evolution of substituted ethylenes excited in the 6eV region. B. Soep, M. Elhanine, J. M. Mestdagh, J. P. Visticot

Section B

R. J. Field, Presiding

9:00 94. Traveling surface reaction zone in the metal-ion catalyzed acid dissolution of aluminum. C. L. Cobb, A. Scheeline, J. Josephs, N. Sethi, F. Onyemauwa, A. Coursey, R. Fuller, M. McCutcheon

9:40 95. In and On Mesoporous Glass: Traveling BZ Waves as Probes of Gel Structures. T. Yamaguchi, T. Amemiya, T. Ohmori, Y. Morikawa, H. Nagasawa, V. A. Davydov

10:20 Intermission

10:40 96. Morphology and phase separation kinetics of binary polymer mixtures under thermodynamically non-uniform conditions. Q. Tran-Cong, K. Endoh, K. Kataoka, H. Nishioka

11:20 97. Temperature patterns on hollow cylindrical catalytic pellets. D. Luss, J. Annamalai

Section C

A. Suits, Organizer
R. E. Continetti, Organizer
J. I. Cline, Presiding

8:40 98. Recoil energy disposal in the vibrational predissociation of some van der Waals dimers. L. M. Yoder, J. R. Barker, K. T. Lorenz, D. W. Chandler

9:20 99. Direct mapping of the reaction dynamics: Cl(¿2¡P¬3/2Ã) and Cl¿*¡(¿2¡P¬1/2Ã) + H¬2Ã. K. Liu, S-H. Lee

10:00 100. Ion imaging studies of correlations between recoil anisotropy and photofragment rotation. H. Reisler, V. Dribinski, A. Demyanenko, H. Meyer, C. Qian

10:20 Intermission

10:40 101. Velocity Map Imaging of Penning Ionization Processes. D. H. Parker

11:20 102. Crossed-beam studies of CO rotational energy transfer. G. C. McBane, S. Antonova, A. Lin, A. P. Tsakotellis, K. T. Lorenz, D. W. Chandler

Section D

A. P. Alivisatos, Presiding
J. Klafter, Presiding

8:20 103. Dynamics of the Gain and Induced Absorption in Fluorescent Oligomers. J-Y. Bigot

9:00 104. Nonliner two-dimensional IR spectroscopy of protein amide I vibrations. P. K. Hamm, M. Lim, R. M. Hochstrasser

9:40 105. Dynamics of hydrogen-bonded complexes in electronically excited states studied with ultrafast vibrational and optical spectroscopies. E. T. J. Nibbering, C. Chudoba, F. Tschirschwitz, T. Elsaesser

10:20 Intermission

10:40 106. Femtosecond transient absorption dynamics of colloidal gold nanoparticles: size and shape independence of the electron-phonon relaxation time. S. Link, C. Burda, M. B. Mohamed, B. Nikoobakht, Z. L. Wang, M. A. El-Sayed

11:00 107. Three-Dimensional Orientations of Polymer-Bound Single Molecules. R. M. Dickson

11:20 108. Time-resolved optical observation of magnon renormalization in antiferromagnetic Cr¬2ÃO¬3Ã. J. S. Dodge, A. B. Schumacher, J-Y. Bigot, D. S. Chemla, N. Ingle, M. R. Beasley

12:00 109. Photophysics of blue-emitting conjugated polymers. C. Silva, M. A. Stevens, D. M. Russell, R. H. Friend

Section A

R. I. Cukier, Presiding

1:20 110. Electronic nonadiabaticity in the reaction of F with H¬2Ã. M. H. Alexander

2:00 111. Wave packet study on photodissociation reactions. M. Aoyagi, S. Nanbu

2:40 112. Delayed ionization and selective fragmentation in energy rich systems. R. D. Levine

3:20 Intermission

3:40 113. Electronically non-adiabatic dynamics via the semiclassical initial value representation. W. H. Miller

4:20 114. Nonadiabatic transitions: basic theory and its applications. H. Nakamura

Section B

C. L. Cobb, Presiding

1:20 115. Technology of Gradient Index Plastic Optical Fibers. V. Ilyashenko

2:00 116. Modeling of isothermal frontal polymerization. V. A. Volpert

2:40 117. Preparation of gradient materials via frontal polymerization. J. A. Pojman, Y. A. Chekanov

3:00 118. Spatio-temporal pattern formation in Pt(100) during CO oxidation at elevated pressures. J. Lauterbach

3:20 Intermission

3:40 119. Percolative Diffusion in Mixed Adlayers and its Influence on Chemical Wave Propagation in Surface Reactions. D-J. Liu, P. A. Thiel, J. W. Evans

4:00 120. Generation and propagation of chiral asymmetry. D. Kondepudi

4:20 121. Cellular Trains in Oscillatory Media. D. Battogtokh, D. A. Browne

Section C

A. G. Suits, Organizer, Presiding

1:40 122. A study of rotational energy transfer in atom-diatom systems using velocity mapped imaging. K. T. Lorenz, D. W. Chandler, G. C. McBane, M. S. Westley, P. L. Houston

2:20 123. Development of a zero kinetic energy photodissociation spectrometer. O. L. A. Monti, H. Dickinson, S. R. Mackenzie, T. P. Softley

2:40 124. Imaging radical dissociation dynamics. M. Ahmed, D. S. Peterka, A. G. Suits

3:20 Intermission

3:40 125. Photodissociation Dynamics of HN3 studied by Ion Imaging. J. Xie, D. Dai, J. Zhang, C. Zhang

4:00 126. Using velocity map imaging and VUV pump and probe lasers to study the photochemistry of free radicals . W. M. Jackson, D. Xu, R. Price, K. McNesby, I. A. McLaren

Section D

S. E. Bradforth, Presiding

1:20 127. Thermodynamics of supercooled and glassy water. P. G. Debenedetti

2:00 128. Intra- and intermolecular vibrations of 3-coordinated water clusters. U. Buck

2:40 129. Thermodynamics of strong electrolyte solutions in the volume-metric: partial molar and excess free energies. R. C. Dougherty

3:00 130. Forces in hydration: the delicate balance between ionic and hydrogen-bond interactions. J. M. Lisy

3:20 Intermission

3:40 131. Water in protein dynamics and function. M-C. Bellissent-Funel

4:20 132. Rotational Constants of all Water Trimer Isotopomers: Effects of Intermolecular Torsional and Symmetric Stretching Excitations. Z. Bacic, D. Sabo, S. Graf, S. Leutwyler

Section A

M. Okumura, Presiding

8:40 133. Reactive quenching of electronically excited OH radicals by molecular hydrogen. M. I. Lester

9:20 134. Spin-orbit relaxation and recombination dynamics in I¬2ÿ<FONT face="Symbol">-</FONT>¡(CO¬2Ã)¬ƒnÅ&Ati lde; and I¬2ÿ<FONT face="Symbol">-</FONT>¡(OCS)¬ƒnÅà cluster ions: A new type of photofragment caging reaction. W. C. Lineberger, T. Sanford, A. Sanov

10:00 135. Removal of the double adiabatic approximation for proton-coupled electron transfer reactions in solution. S. Hammes-Schiffer

10:20 Intermission

10:40 136. Nonadiabatic molecular dynamics simulations of photodissociation and recombination in molecular cluster ions: anomalous charge flow and ultrafast spin-orbit quenching. R. Parson, N. Delaney, J. Faeder

11:20 137. Solvent induced nonadiabatic transitions. P. F. Barbara, D. H. Son, T. Kee, P. Kambhampati

11:40 138. Charge migration and control of site selective fragmentation of small peptide ions. F. Remacle

Section B

R. C. Dougherty, Presiding

8:20 139. Liquid water models: beyond TIP4P and the density(T) problem. W. L. Jorgensen, C. Jenson, M. W. Mahoney

9:00 140. Molecular beam studies of nanoscale films of amorphous solid water. B. D. Kay, Z. Dohnalek, G. A. Kimmel, K. P. Stevenson, R. S. Smith

9:40 141. Electron solvation dynamics in I¿-¡(H¬2ÃO)¬nà clusters. D. M. Neumark

10:00 142. Structure and reactivity of solutes in water clusters. I. H. Hillier, R. Bryce, J. McNamara, M. A. Vincent

10:20 Intermission

10:40 143. Two-dimensional vibrational spectroscopy of water. D. D. Dlott, J. C. Deak, L. K. Iwaki, S. T. Rhea

11:20 144. Construction of Polarizable Models for Water and Other Liquids by Direct Fitting to Ab Initio Quantum Chemistry. R. A. Friesner

Section C

R. E. Continetti, Organizer, Presiding

8:40 145. Femtosecond time-resolved photoelectron imaging. T. Suzuki

9:20 146. Femtosecond Time-Resolved Photoelectron-Photoion Coincidence Imaging. C. C. Hayden, J. A. Davies

10:00 147. Fragmentation of the Na¬3ÿ+¡ clusters by He impact : non adiabatic aspects. D. Babikov, Y. J. Picard, F. Aguillon, M. Barat, J-C. Brenot, H. Dunet, J. A. Fayeton, V. Sidis, M. Sizun

10:20 Intermission

10:40 148. Photoelectron and photofragment velocity mapping following the excitation of CH¬3ÃI to the A-Band using fs, ps and ns laser pulses. P. C. Samartzis, B. L. G. Bakker, D. H. Parker, T. N. Kitsopoulos

11:20 149. Anisotropic photofragment distributions; what have we learned from Å? R. Bersohn

Section D

S. N. Yaliraki, Presiding

8:20 150. Photoinduced electron transfer in clusters of a fullerene-aniline dyad. K. G. Thomas, B. V, G. M. V., D. M. Guldi, P. V. Kamat

8:40 151. Local electronic properties of self assembled metal nanocrystals. P. Marie-Paule, T. Afid, C. Fabrice, A. Gusev, F. Silly

9:00 152. Cobalt nanosized particles organized in a 2D superlattice: Synthesis, Characterization and Magnetic properties. P. Christophe, P. Marie-Paule

9:20 153. Alkanethiol multilayer formation on oxidized gold substrates. J. T. Woodward, M. L. Walker, C. Meuse, D. Vanderah, A. L. Plant

9:40 154. Morphological, electrical, and spectroscopic studies of novel semiconductor nanoparticles. L. I. Halaoui, R. L. Wells, L. A. Coury

10:00 155. Theory of electronic transport through single molecules at metal interfaces. S. N. Yaliraki, M. A. Ratner

10:20 Intermission

10:40 156. 3-D time-resolved FTIR spectroscopy studies of photochemistry at 193.3 nm. J. D. Wrobel, M. Green, I. A. McLaren, W. M. Jackson

11:00 157. Spectroscopy of Alkoxy Radicals. T. S. Dibble, C. Wang, L. G. Shemesh, W. Deng, M. D. Lilien, D. R. Katz

11:20 158. The relationship between the quasiliquid phase and multilayer physical adsorption. B. F. Henson, L. L. Foster, K. R. Wilson, J. M. Robinson

11:40 159. The change in water dynamics in the presence of mono and disaccharides. A. M. Tsai, D. A. Neumann

Section A

D. M. Wardlaw, Presiding

1:20 160. Nonadiabatic dynamics in many-body systems. V. A. Apkarian

2:00 161. Spectroscopy and dynamics of deactivation of M(¿1¡P¬1Ã) to M(¿3¡P¬JÃ) states (M=metal atom) in M(¿1¡P¬2Ã) + RG collisions, M<&õ183;RG Diatomics, (M&õ183;RG)¬nà clusters, and M&õ183;(RG) solid matrices (RG=rare gas). J. G. McCaffrey, J. G. Kaup, W. H. Breckenridge

2:40 162. First-principles studies of photoinduced isomerization and electron transfer . T. J. Martinez

3:20 Intermission

3:40 163. Photoinduced homolytic C-X bond cleavage in ring-halogenated aryl ketones. P. J. Wagner, A. Gudmansdottir, H-J. Yoon

4:20 164. Electronic energy and charge transfer in slow ion collisions from a first principles quantum dynamics: Systems with several active electrons. D. A. Micha

4:40 165. Kinetic energy dependence of competitive spin-allowed and spin-forbidden reactions: V¿+¡ + CS¬2Ã. P. B. Armentrout, C. Rue, I. Kretzschmar, D. Schroeder, J. N. Harvey, H. Schwarz

Section B

L. Curtiss, Organizer
M. A. Ratner, Presiding
J. Del Bene, Presiding

1:10 Introductory remarks by Larry Curtiss

1:20 166. Quantum chemical models. J. A. Pople

2:00 167. The Development and Applications of the ONIOM, an Integrated MO + MM Method. K. Morokuma

2:40 168. Methods and results for spectra and reactions. E. R. Davidson

3:20 Intermission

3:40 169. Approximating CCSD(T) calculations with perturbation theory methods. T. H. Dunning, K. A. Peterson

4:20 170. A GIAO-DFT approach to the calculation of NMR and EPR parameters. Quanitative results and qualitative interpretations. G. Schreckenbach, Y. Ruiz-Morales, S. K. Wolff, J. Khandogin, S. Patchkovskii, T. Ziegler

4:40 171. Excited States in Density Functional Theory. M. Levy, F. E. Zahariev

Section C

C. C. Hayden, Presiding

1:20 172. USING TIME- AND POSITION SENSITIVE DETECTION FOR THE STUDY OF INTRAMOLECULAR DYNAMICS. W. J. van der Zande, R. Peverall, R. Thomas, S. Rosµen, M. Larsson, R. Bobbenkamp

2:00 173. Three-body dissociation dynamics of the ozone-water complex. A. K. Luong, T. G. Clements, R. E. Continetti

2:40 174. Three-dimensional momentum space imaging for ions and electrons. R. Dörner, H. Bräuning, V. Mergel, O. Jagutzki, T. Weber, L. Spielberger, M. Achler, C. L. Cocke, T. Osipov, A. Landers, M. H. Prior, H. Schmidt-Böcking

3:20 Intermission

3:40 175. Photodissociation of H2O: An Excellent Case for Unimolecular Dissociation. X. Yang

4:00 176. Dynamics of State-Selected Ion/Surface Reactions. D. C. Jacobs, M. Maazouz, P. L. Maazouz

Section D

V. L. Colvin, Presiding

1:20 177. Transforming H¬2ÃO at very high pressures. R. J. Hemley

2:00 178. The growth and spectroscopic characterization of water clusters in superfluid liquid helium nano-droplets. R. E. Miller, K. Nauta

2:40 179. The soft-sticky dipole (SSD) model of water under stress. T. Ichiye

3:00 180. Ionic water clusters probe aqueous chemistry. B. S. Fox, M. Beyer, S. E. Joos, U. Achatz, G. Niedner-Schatteburg, V. E. Bondybey

3:20 Intermission

3:40 181. About simple pair potentials for simulated water:is there room for improvement? B. Guillot, Y. Guissani

4:20 182. Slow Dynamics in Supercooled Water: Theory and Simulations. F. Sciortino

Section A

G. C. Schatz, Presiding

183. Photodissociation of water in the B band. R. van Harrevelt, M. C. van Hemert

184. Nonadiabatic chemistry in energetic materials. M. R. Manaa, L. E. Fried

185. Photodissociation dynamics of the CNN free radical. R. T. Bise, A. Hoops, H. S. Choi, D. M. Neumark

186. Dynamics of electron solvation in I¿-¡ hydrogen-bonded and xenon clusters. A. V. Davis, M. T. Zanni, C. Frischkorn, D. M. Neumark

187. Withdrawn.

188. Quantum-mechanical modeling of the femtosecond spectroscopy of the nonadiabatic photoisomerization in rhodopsin. S. Hahn, G. Stock

189. Effect of excited electronic states in intense-field molecular dissociation. J. T. Paci, D. M. Wardlaw

190. Adiabatic and approximate diabatic potential energy surfaces for the weakly-bound Al"H¬2Ã complex. J. Williams, M. H. Alexander

191. Photodissociation dynamics of the paradigm NaI molecule in polar solvent clusters. G. H. Peslherbe, B. M. Ladanyi, J. T. Hynes

192. Collision-induced electronic energy transfer in I¬2Ã(E) + He, Ar, I¬2Ã(X). T. A. Stephenson, C. J. Fecko, M. A. Freedman, M. J. Krisch

193. Ultraviolet photodissociation dynamics of IBr using state-selective translational spectroscopy. W. S. McGivern, R. Li, T. Nguyen, S. W. North

194. Electronic state mixing in AlAr¬ƒ<small>n</small>Åà clusters. M. Okumura, J. M. Spotts, C-K. Wong, J. A. Boatz, J. A. Sheehy, P. W. Langhoff, R. J. Hinde

195. The effect of a strong external field on the electronic dephasing of a solute that is coupled to a solvent. R. I. Cukier, M. Morillo

Section B

G. C. Schatz, Presiding

196. Photofragment translational spectroscopy with state-selective ‘universal detection‘: the ultraviolet photodissociation of CS¬2Ã. W. S. McGivern, O. Sorkahabi, A. Razvi, A. G. Suits, S. W. North

197. Development of a 2-D imaging detector for surface photochemistry applications. M. G. White, R. M. Rao, R. J. Beuhler

198. Femtosecond studies of dissociation dynamics using three-dimensional imaging techniques. J. A. Davies, C. C. Hayden

199. Velocity Map Imaging of crossed-molecular beam scattering: The HCl/Ar system. D. W. Chandler, K. T. Lorenz

200. Imaging studies utilizing synchrotron radiation at the Advanced Light Source. D. S. Peterka, M. Ahmed, C. Ng, A. G. Suits

201. Probing metastable O¬4ÿ*¡ with velocity map imaging. D. S. Peterka, M. Ahmed, A. G. Suits

202. Van der waals minima on the potential surface of the OH + HCL <font face="Symbol">®;</font> CL + H¬2Ã0 reaction. G. Lendvay

Section C

G. C. Schatz, Organizer

203. Formation of a Ground State Twisted-Internal-Charge-Transfer Conformer of 4-(Dimethylamino)benzaldehyde. P. W. Jagodzinski, G. P. Kushto

204. Electronic energy dynamics of photoexcited ternary Zintl phase LiSbTe¬2Ã and the distance estimation between trap sites by laser power saturation spectroscopy. Y-R. Kim, S-G. Kang, J-S. Jung, S-H. Lee

205. Investigation of low frequency vibrational modes of solutions by heterodyne detected optical Kerr effect measurements with femtosecond time resolution. P. Piotrowiak, J. R. Smith

206. Infrared laser spectroscopy of jet cooled organometallic compounds. S. Reeve, A. Ford, M. Draganjac

207. Subthreshold photoionization of CH¬3ÃI in Ar, N¬2Ã and CO¬2Ã. C. M. Evans, R. Reininger, G. L. Findley

208. Kinetic energy release distributions in the photoionization-induced dissociative rearrangements of weak complexes. E. A. Walters, J. R. Grover, D. L. Arneberg, G. Hagenow, J. T. Clay, B. M. Cheng, M. V. Willcox

209. Study on the spectra character of the excited state Europium complex with different ligand. C. Zhang, L. Zhang, C. Lin

210. Rotational spectroscopy of biomolecules and their water clusters. M. J. Tubergen, K. A. Kuhls, R. J. Lavrich

211. Barrier to methyl internal rotation in the B-tilda state of 1-methylvinoxy radical: LIF and CASSCF studies. S. A. Williams, F. Weinhold, J. C. Weisshaar

212. Structure and dynamics of He¬nÃ- LiH Van der Waals clusters. B. K. Taylor, R. J. Hinde

213. Solvent effects on the fluorescence of p-N,N-dimethylaminocinnamic acid. S. E. Arnold

214. Rotational coherence spectroscopy and mass-resolved resonant two-photon ionization spectroscopy of fluorene-X¬nà (X = H¬2ÃO, CH¬3ÃOH, CH¬3ÃCN, NH¬3Ã) clusters . D. M. Laman, A. G. Joly, D. Ray

215. Semiempirical self-consistent field configuration interaction calculations of the electronic spectroscopy of the V2, VNb, and Nb2 dimer molecules. T. A. O‘Brien, M. C. Zerner

216. Infrared activity of neat and doped (p-H¬2Ã)¬nà clusters. R. J. Hinde, B. K. Taylor, T. Sivakumaran

217. Reactivities of vanadium oxide cluster cations: insights into catalysis. R. C. Bell, K. A. Zemski, A. W. Castleman, Jr.

218. Transition Metal Carbon Clusters: Further Evidence of the Unique Electronic Properties and Stability of Met-Car Clusters. S. E. Kooi, H. Sakurai, A. W. Castleman

219. Symmetry Forbidden and Symmetry Allowed Electron Transfer in a Donor-Acceptor Spiran . S. Manrao, R. Kobetic, P. Piotrowiak

220. Artificial photosynthesis with novel porphyrin-flavin dyads: sensitivity analysis of distance and orientation variation on electron transfer. S. Stark, A. B. J. Parusel, G. Koehler, D. Hermann, G. Grabner

221. The Photochemical Reaction of Ozone and 2-Butyne: An Infrared Matrix Isolation Study. J. K. Parker, S. R. Davis

222. Photo-induced hydrogen atom transfer in free-base porphyrin. K. A. Nguyen, R. Pachter

Section D

G. C. Schatz, Presiding

223. An implementation of the COSMO solvation model into the Amsterdam Density Functional package (ADF). C. Pye, T. Ziegler

224. Prediction of the ¿195¡ Pt NMR chemical shifts with the inclusion of relativistic effects: Pauli and ZORA formalisms. T. M. Gilbert, T. Ziegler

225. Calculation of NMR chemical shifts by the DFT-GIAO method with inclusion of relativistic effects: Pauli and ZORA formalism. S. K. Wolff, T. Ziegler

226. Quantum Chemical Studies of the Dissociation Pathways of Alkoxy Radicals Formed in the Atmospheric Degradation of Isoprene. T. S. Dibble

227. Complete basis set and gaussian computational study of dissociative recombination process of the cyanogen ion (CN+). B. S. Jursic

228. Relativistic effects on heavy metal-ligand NMR spin-spin couplings:A density functional study. J. Khandogin, T. Ziegler

229. Prediction of EPR g-tensors of transition metal complexes with density functional theory: First applications to some axial d¿1¡ MEX¬4Ã systems. S. Patchkovskii, T. Ziegler

230. Density functional calculations of NMR chemical shifts with the inclusion of spin-orbit coupling in tungsten and lead compounds . A. Rodriguez-Fortea, P. Alemany, T. Ziegler

231. Chemical supercomputing on the cheap: 94GFlops computer system at ú3680 (cdn)/gigaglop. S. Patchkovskii, R. Schmid, T. Ziegler

232. Applications of Kohn-Sham density functional theory to biomolecular magnetism: direct-exchange and super-exchange in transition metal complexes. J. H. Rodriguez, J. K. McCusker

233. Direct recurrence relations for the rapid and stable determination of rotation matrices between complex spherical harmonics. C. H. Choi, J. Ivanic, M. S. Gordon, K. Ruedenberg

234. Advanced initial-guess algorithms for self-consistent field calculations on transition-metal-containing systems. G. Vacek, J. K. Perry

235. Theoretical Modeling of Nonplanar Polyhalogenated Porphyrins. A. Ghosh, R. Lie

236. Accurate density functional with correct formal properties: a step beyond the generalized gradient approximation. S. Kurth, J. P. Perdew, A. Zupan, P. Blaha

237. ƒAb initioÅ study of argon monofluoride and other argon-fluorine complexes. G. J. Hoffman, M. Colletto, D. L. Biermann

238. Comparison of strained hydrocarbon isomerization pathways calculated at the MCSCF and HF levels. S. R. Davis, J. E. Walker

239. Quantum and semi-classical modeling of solvent effects on NLO properties. H. &Aring;gren

240. Characteristics of calculated vibrational frequencies along chemical reaction paths. D. K. Malick, J. A. Keith, Y-T. Chen, G. A. Petersson

241. Testing density functionals in the quasi two-dimensional electron gas. L. Pollack, J. P. Perdew

242. Negative local thermodynamic temperature: electronic motion. S-K. Lin

243. Can ab initio potential surfaces be obtained without the basis set superposition error? G. Lendvay, I. Mayer

Section E

G. C. Schatz, Organizer

244. Similarity principle and rejection of Gibbs paradox. S-K. Lin

245. Symmetry principle and similarity principle. S-K. Lin

246. Quantum chemical studies of the thermal decomposition of furan. K. Sendt, G. B. Bacskay, J. C. Mackie

247. Theoretical study of photoinduced electron transfer in a molecularly doped conjugated polymer: the effect of lattice relaxation. B-Y. Jin, D-S. Yang

248. NMR solution structures of undecanucleotide duplexes containing N6-deoxyadenosine adducts derived from a 9,10-epoxide and 7,8-diol-9,10-epoxide of 7,8,9,10-tetrahydrobenzo[a]pyrene . P. Pradhan, X. Liu, D. M. Jerina, J. Sayer, J. H. Shah, M. K. Lakshman, H. J. C. Yeh

249. Small HOMO LUMO Gap Carborazines. L. L. Griffin, D. J. Klein

250. Gas-phase proton transfer between zwitterion and protonated ion; an experimental and ƒab initioÅ study. W. D. Price, T. Lindbery

251. Regularities in the spin states of ‘iso-related‘ HX, HeX¿+¡, LiX, FX, NeX¿+¡, and ArX¿+¡ species. C. A. Deakyne, J. F. Liebman

252. State of the art excited state INDO/S calculations. D. W. De Kee, C. H. Martin, M. C. Zerner

253. Memory equation algorithm: crossover from adiabatic to nonadiabatic regimes for reduced dynamics in spin-boson models. A. A. Golosov, R. A. Friesner, P. Pechukas

254. Developing new computational algorithms for the construction of adsorption isotherms. L. Nadal, G. E. Lµopez

Section F

G. C. Schatz, Organizer

255. Oxidation of Psychotropic Drugs with N-Haloamines: A Kinetic and Mechanistic Study by Spectrophotometric Method. S. Ananda, T. S. Raju

256. Free radical chain photoreduction of CFC-11 on TiO¬2Ã particle surfaces. K. J. Winkelmann, R. L. Calhoun, G. Mills

257. Kinetics of the reaction between ƒpÅ-benzoquinone imines and naphthols. C. W. Rushing, R. C. Thompson

258. Experimental studies on the ignition of Jet A. E. M. Olano, W. C. Gardiner, M. J. Hall

259. Hydroxyl radical quantum yields from the 248nm and 308nm photolysis of Hydrogen Peroxide in the aqueous phase. X-Y. Yu, J. R. Barker

260. Specificity and non-specificity in the CO¬2Ã-laser sensitized reaction of tetrachloroethene. B. L. Earl, R. L. Titus

261. Kinetic measurements of ethyl peroxy radical with NO and NO2 using pulsed laser thermal lens spectrometry. S. L. Nickolaisen, J. A. Cabrera, S. Sharma, D. Mah

262. Laser-induced fluorescence detection of atmospheric NO2 at parts per trillion mixing ratios: implications for nitrogen oxide photochemistry in the stratosphere and troposphere. R. C. Cohen

263. Generation of singlet oxygen by direct excitation of silica. A time resolved study. I. N. Ivanov, R. Dabestani, M. E. Sigman

264. Characterization and application of TiO¬2Ã-Al¬2ÃO¬3Ã and TiO¬2Ã-SiO¬2Ã composite photocatalyst attached to hollow grass micro bead. M-Y. Zhao, X-R. Zhang, J-H. Zhao, J-X. Zhao

265. Experimental 1H NMR and computational studies of internal rotation kinetics of solvated Formamide. A. N. Taha, N. S. True

266. Instability of IrBr¬6ÿ3-¡ in Solution: Kinetic Consequences. R. J. Hanrahan, C. M. Hoag

267. Activity and characterization of new type catalyst of oxidation of carbon oxide. M-Y. Zhao, P. Yang, J. H. Zhao, J. X. Zhao

268. Mechanism of Methanol Carbonylation over Nickel supported on Activated Carbon. M. Abraham, A. Merenov

269. Gas-Phase Nuclear Magnetic Resonance Study of (15N)Trifluoroacetamide: Comparison of Experimental and Computed Kinetic Parameters. C. LeMaster, C. LeMaster, N. True

Section G

G. C. Schatz, Presiding

270. Spectroscopic Investigation of Water Associated with NaCl Aerosols. D. D. Weis, G. E. Ewing

271. Uptake of SO¬2Ã by liquid water and ice. Z. Zhang, G. E. Ewing

272. Diffusion of HCl and Na in Ice Measured Using a New Laser Resonant Desorption Depth-Profiling Technique. F. E. Livingston, S. M. George

273. Structures and Energetics of Multiple Anions of the Nucleic Acids and Cytosine Hydrates . E. S. Chen, E. C. M. Chen

274. Calculating Overtone Intensities of Water Clusters. G. R. Low, H. G. Kjaergaard

275. Theoretical ab-initio study of dipole-bound anion of water dimer. W-S. Sheu, S-Y. Chen

276. Concerning the chemical reactivity of the ice surface. C. Pursell

277. Experimental model studies of the peptide bond. G. T. Fraser, A. R. Hight Walker, F. J. Lovas, R. D. Suenram

278. Giant negative-ion enhancement in electron-induced dissociation of CF¬2ÃCl¬2Ã coadsorbed with water and ammonia ices. Q-B. Lu, T. E. Madey

279. Structure, stability, and phase diagrams for water clusters. M. C. Vicens, G. E. Lµopez

280. Ice on BaF¬2Ã (111) under ambient conditions. V. Y. Sadtchenko, D. Ferry, G. E. Ewing

281. The Water Solvation of Sodium Hydroxide, Hydrogen Chloride and Hydrogen Fluoride. A. Yoshikawa, M. S. Gordon

282. Quantum mechanical probabilistic structure of the water dimer with an excess electron. K. S. Kim, J. Kim, J. Y. Lee, K.S. Oh, J. M. Park, S. Lee

283. Aqua-potassium(I) complexes: Ab initio study. K. S. Kim, H. M. Lee, J. Kim, S. Lee, B. J. Mhin

284. Structures, binding energies, and spectra of the water hexamer, heptamer and octamer clusters: Extensive ab initio studies. K. S. Kim, J. Kim, H. M. Lee, D. Majumdar

285. Ab initio studies of structures, energetics, infrared, and charge-transfer-to-solvent spectra of halide water clusters: X¿-¡(H¬2ÃO)¬nÃ, (X=F, Cl, Br, I and n=1~6). K. S. KIm, J. Kim, D. Majumdar, H. M. Lee, J. Baik

286. Spectroscopy of a series of N-phenylamides and their water clusters in a supersonic jet expansion: Solvation of model cis and trans amides. A. V. Fedorov, J. R. Cable

287. Origin of temperature and pressure effects on the radial distribution function of water. J. Urquidi, C. H. Cho, G. W. Robinson

288. The effects of water of solvation on double proton transfer reactions. D. E. Folmer, E. S. Wisniewski, A. W. Castleman, Jr

289. Introduction of ionic defects in small water clusters: a computational study. P. L. M. Plummer

290. Capillary absorption of methane on model Titan ices: implications for a hidden hydrocarbon ocean . J. M. Robinson, L. L. Foster, K. R. Wilson, L. B. Smilowitz, J. L. Casson, M. K. Dubey, M. S. Johal, B. F. Wilson

291. Investigating the role of quasi-liquid layers in tropospheric chemistry. L. L. Foster, K. R. Wilson, J. M. Robinson, B. F. Henson

292. Excess electron binding by (H¬2ÃO)¬2Ã, (H¬2ÃO)¬3Ã, H¬2ÃO...NH¬3Ã, and H¬2ÃO...HCl. M. S. Gutowski, P. Skurski

293. Fluorescence-dip infrared spectroscopy of 2-Pyridone, its dimers, and water clusters. G. M. Florio, C. J. Gruenloh, R. C. Quimpo, T. S. Zwier

294. Hydrogen bound clusters of tryptophan analogs and water. J. R. Carney, G. M. Florio, T. S. Zwier

295. Probing the surface of aqueous ammonia solutions with Sum Frequency Generation. D. Simonelli, S. Baldelli, M. J. Shultz

296. The role of adsorbed water on the heterogeneous reaction of nitric acid and calcium carbonate. A. L. Goodman, G. M. Underwood, V. H. Grassian

297. THz time-domain spectroscopy of water: an indication for a collective plasma oscillation of H¬3ÃO¬2Ã- ions. M. Koch, I. H. Libon, N. E. Hecker, J. Feldmann, D. M. Mittleman, A. Hayd, G. Zundel

298. An investigation of the heterogeneous reaction 2NO¬2Ã(g) + H¬2ÃO(a) <font face="Symbol">®;</font> HONO(g) + HNO¬3Ã(a) on hydrated silica particles: characterization of gas-phase and adsorbed products. G. M. Underwood, A. L. Goodman, V. H. Grassian

299. Towards a general theory of hydrogen bonding: hydrogen bonds involving water. J. H. Jensen, R. M. Minikis, L. C. Remer

300. Parametrization of a flexible polarizable model for water using high level first principles results. C. J. Burnham, S. S. Xantheas

301. How do natural gas hydrates form? A. Khan

302. The quantum dynamics of the excess proton in water. G. A. Voth

303. Transition path sampling: Rearrangement of the cage water hexamer. D. Chandler, J. Y. Lee, C. Dellago

304. Hydrogen bonding of water molecules: from highly ordered hydrogen bonding to the free OH oscillator studied by Vibrational Sum Frequency Generation. L. F. Scatena, G. L. Richmond

Section H

G. C. Schatz, Presiding

305. Isothermal frontal polymerization: front propagation in experiments and in theory. C. A. Spade, L. L. Lewis, J. A. Pojman, V. A. Volpert

306. Determination of a diffusion coefficient using Liesegang Rings: A physical chemistry laboratory experiment. J. A. Pojman, R. Al-Kaisi

307. Polymeric foam experiments in microgravity: Results from the NASA KC-135A parabolic flight experiments. J. A. Pojman, W. J. Ainsworth, J. R. Warren, V. V. Nguyen, P. N. Wahjudi, M. Kendrick, F. Stewart

308. Two-dimensional frontal polymerization. J. A. Pojman, J. Warren

309. Wavefront velocities of the BZ reaction in a varying gravity environment. J. Lauterbach

310. Experimental investigation of the effects of model drugs on pH-oscillators. G. P. Misra, R. A. Siegel

311. Free convection effects on formation of polymer properties . K. G. Kostarev, T. M. Yudina

312. Numerical analysis of TiC combustion synthesis:critical conditions for ignition. A. Aoufi, D. Vrel, J-P. Petitet

313. Illumination Control of Turing Structures. M. Dolnik, A. M. Zhabotinsky, A. K. Horvath, A. P. Munuzuri, I. R. Epstein

314. Pattern formation on curved surfaces. N. Manz, S. C. Mueller, O. Steinbock

315. Pattern formation in a reaction-diffusion system with wave instability. M. Dolnik, A. M. Zhabotinsky, A. Rovinsky, I. R. Epstein

316. The oxidation of organic acids by metal ions and metal-ion complexes. B. Steinbock, N. S. Dalal, O. Steinbock

317. Sulfide-ion induced pattern formation in swelling polyacrylamide gels. J. C. Zahardis, O. Steinbock

318. Limits of propagation for radical recombination waves. V. I. Goldanski, E. N. Rumanov, . P. Shabalin

319. "Tunneling" of autowaves. A. Y. Dovzhenko, S. V. Maklakov, E. N. Rumanov

320. Wave of evaporation in superheated liquid. A. Y. Dovzhenko, I. E. Rumanov, E. N. Rumanov

321. The effective interfacial tension in miscible fluids. V. Volpert, T. Dumont, Y. Chekanov, J. Masere, J. A. Pojman

322. Polymerization coupled to oscillating reactions: a mechanistic investigation of acrylonitrile polymerization in the belousov-zhabotinsky reaction in a batch reactor. R. P. Washington, W. W. West, G. Misra, J. A. Pojman

Section I

G. C. Schatz, Presiding

323. DNA, a communications network for the cell? T. C. Bishop, Y. Shi, J. E. Hearst

324. Solvation of nonpolar solutes: molecular dynamics simulations and an information theory approximation. J. W. Arthur, A. D. J. Haymet

325. Time resolved dynamics of transient neutrals. B. E. Callicoatt, W. C. Lineberger

326. Withdrawn

Poster Session: General papers - Materials, macromolecules

7:00 9:00

Poster Session: General papers - Interfaces

7:00 9:00

Poster Session: General papers - Thermodynamics, condensed matter

7:00 9:00

Poster Session: General papers - Biophysical

7:00 9:00

Poster Session: Chromophore Aggregates

7:00 9:00

Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media VII

Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry

Imaging in Chemical Dynamics

Vector Correlations

Water and Water Clusters VIII

Joint Session: Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media - and - Imaging in Chemical Dynamics

Nobel Prize Symposium and Other Theory Papers

Water and Water Clusters: Contributed Papers

Nonlinear Optical and Electronic Materials

First Accomplishments of the Environmental Management Science Program (Cosponsered with NUCL, ENVR, ANYL and I&EC. Submit to NUCL.)

Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Processing