| OTHER SYMPOSIA OF INTEREST:
Energy Landscapes of Proteins, Glasses and Clusters Poster Session (see Division of Computers in Chemistry, Wed) Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function and Prediction (see Division of Computers in Chemistry, Sun, Mon, Tue, Wed) Methods for Addressing Time and Length Scale Problems in Molecular Simulations (see Division of Computers in Chemistry, Mon, Tue, Wed, Thu) Chemical Dynamics at the Turn of the New Century: Nobel Laureates Look Back and Ahead (see Division of Chemical Education, Mon) Teaching Physical Chemistry in the New Century (see Division of Chemical Education, Wed, Thu) Photochemistry Becomes More Complex (see Division of Organic Chemistry, Mon, Tue) BUSINESS MEETING: Sun |
Unknown Site
Unknown Room
8:20 — 1. Deciphering kinesin motility with single molecule microscopy. K. S. Thorn, M. Tomishige, R. D. Vale
9:00 — 2. Optical imaging of rotary molecular motors. K. Kinosita Jr.
9:40 — 3. Observation of a single dye labeled virus on its infectious entry pathway into a living cell. C. Bräuchle
10:00 — Intermission.
10:20 — 4. Single molecule biophysics. T. Yanagida
11:00 — 5. Single-molecule spectroscopy, from quantum optics to molecular motors W. E. Moerner, B. Lounis, H. Sosa, E. J. G. Peterman, L. S. B. Goldstein
11:40 — 6. Single-molecule dynamics and interactions at living interfaces. X. N. Xu, R. Jeffers, S. Huang, D. Wang, M. Nowak
Section B
Unknown Site
Unknown Room
8:20 — 7. Hydration of protein surfaces and internal cavities by NMR. G. Otting, E. Liepinsh
9:00 — 8. Simulations of peptides at aqueous interfaces. A. Pohorille, M. A. Wilson, C. Chipot
9:40 — 9. Investigations of interfacial water structure in the presence of atmospherically relevant molecules. E. A. Raymond, T. L. Tarbuck, H. C. Allen, G. L. Richmond
10:00 — Intermission.
10:20 — 10. Drying induced nucleation of oil droplets in water. P. R. Ten Wolde, S. X. Sun, D. Chandler
10:40 — 11. Wet and dry interfaces in protein-protein and protein-DNA complexes. J. Janin, L. Lo Conte, C. Chothia, K. Nadassy, S. Wodak
11:20 — 12. On the role of water in the dynamical glass transition of proteins. D. J. Tobias
Section C
Unknown Site
Unknown Room
8:20 — 13. Electromagnetic bandgaps at photonic and radio frequencies. E. Yablonovitch
9:20 — 14. Mesoscale self-assembly: A tutorial review. Y. Xia
10:00 — Intermission.
10:20 — 15. Crystalline colloidal self assembly: A motif for creating smart materials for chemical sensing and electro-optics. S. A. Asher
11:00 — 16. Evolution and control of order in colloidal crystals. Z. Cheng, J. C. Ruiz, M. Megans, A. D. Hollingsworth, C. Harrison, W. B. Russel, P. M. Chaikin
Section D
Unknown Site
Unknown Room
8:20 — Introductory Remarks.
8:25 — 17. State-resolved photoionization dynamics of HCO and DCO. R. J. Foltynowicz, E. J. Zückerman, J. D. Robinson, K. M. Prentice, E. R. Grant
9:05 — 18. Resonantly amplified vibronic symmetry breaking. E. D. Poliakoff
9:45 — 19. Excitation of Rydberg states in C60 fullerenes. K. Hoffmann, M. Boyle, C. Schulz, E. E. B. Campbell, I. V. Hertel
10:05 — Intermission.
10:20 — 20. Photoelectron spectroscopy of autoionizing Rydberg states of water. W. L. Glab
11:00 — 21. Autoionization of NO Rydberg states probed with rotational- and angle-resolved photoelectron spectroscopy. R. N. Zare, I. M. Konen, R. Zhao
11:40 — 22. On the angular distributions of electrons photoejected
from fixed-in-space and randomly oriented molecules. P. W. Langhoff,
J. C. Arce, J. A. Sheehy, O. A. Hemmers, H. Wang, P. Focke, I. A. Sellin,
D. W. Lindle
Unknown Site
Unknown Room
1:40 — 23. Michaelis-Menten kinetics of a single molecule of calf-intestinal alkaline phosphatase. N. J. Dovichi, R. Polakowski, M. Eggerston
2:20 — 24. Single-molecule enzymatic and conformational dynamics. X. S. Xie
3:00 — 25. Conformational substates dynamics in the active adrenergic receptor. G. Peleg, P. Ghanouni, B. K. Kobilka, R. N. Zare
3:20 — Intermission.
3:40 — 26. Spectrally-resolved fluorescence lifetime imaging of single molecules. M. Sauer
4:20 — 27. New tools for single molecule dynamics: From trapping in vesicles to surface enhanced Raman scattering. G. Haran, E. Boukobza, A. Weiss
4:40 — 28. Simultaneous "dual-color and dual-polarization imaging" as a tool for co-localization and fluorescence resonant energy transfer studies of single molecules. G. Harms, L. Cognet, G. A. Blab, P. H. M. Lommerse, T. Schmidt
5:00 — 29. Single-molecule spectroscopy study of the mechanisms and dynamics of molecular interactions and enzymatic reactions. H. P. Lu, Y. Chen
Section B
Unknown Site
Unknown Room
1:40 — 30. Solvation in protein structure prediction and design. D. Baker
2:10 — 31. Protein hydration: What can we get from volumetric studies? T. V. Chalikian
2:40 — Intermission.
3:20 — 32. Dynamics of molecular recognition in water. J. A. McCammon
4:00 — 33. Magnetic relaxation dispersion studies of protein hydration. B. Halle, M. Gottschalk, K. Modig, V. P. Denisov
Section C
Unknown Site
Unknown Room
1:40 — 34. Emulsion and colloidal templating of photonic crystals. D. J. Pine, V. N. Manoharan, J. Thorne
2:20 — 35. 3-D ordered macroporous solids: The gems of chemistry and physics. R. C. Schroden, H. Yan, C. F. Blanford, M. Al-Daous, A. Stein
3:00 — Intermission.
3:20 — 36. Self assembling block copolymer structures as photonic crystals. Y. Fink, E. L. Thomas, A. Urbas, M. Xenidou
4:00 — 37. Giant birefringent optical structures. A. J. Ouderkirk
Section D
Unknown Site
Unknown Room
1:40 — 38. Non-covalent interactions in molecular clusters studied by ZEKE spectroscopy. K. Müller-Dethlefs
2:20 — 39. MATI and PIRI investigations of torsional and Jahn-Teller interactions in cations. P. M. Johnson
3:00 — 40. High resolution pulsed field ionization photoelectron-photoion coincidence study of freon compounds. X. Qian, Y. Song, C. Y. Ng, W. Chen, J. Liu
3:20 — Intermission.
3:40 — 41. Threshold photoionization at high resolution. F. Merkt, A. Osterwalder, U. Hollenstein, R. Seiler, M. Sommavilla
4:20 — 42. Physics of very short-lived and very long-lived molecular Rydberg states. C. Jungen
5:00 — 43. ZEKE Spectroscopy studies of weakly-bound group IIIA-VA complexes. D. Yang, G. K. Rothshopf, S. Li, S. Perkins, D. Pillai
Section E
Unknown Site
Unknown Room
1:40 — Introductory Remarks.
1:50 — 44. Coupled cluster methods for bond-breaking. M. P. Head-Gordon
2:30 — 45. Jacob's ladder for time-dependent density-functional theory: Some rungs on the way to photochemical heaven. M. E. Casida
3:10 — 46. The effects of vibration on molecular properties. P. R. Taylor, K. Ruud, P. Åstrand
3:50 — Intermission.
4:10 — 47. Water clusters: Terahertz and IR cavity ringdown spectroscopy results. R. J. Saykally
4:50 — 48. Development and application of high accuracy methane-water
potentials from ab initio calculations for modeling of gas hydrates. B.
Trout, J. W. Tester, Z. Cao, M. Bazant
8:20 — 49. Dynamics of solids at low temperatures studied with single molecules. J. Caruge, M. Orrit
9:00 — 50. Single molecule spectroscopy in glasses. E. Geva, J. L. Skinner
9:40 — 51. Fluctuation in single molecule spectroscopy. Y. Jung, E. Barkai, R. J. Silbey
10:00 — Intermission.
10:20 — 52. Confocal fluorescence and Raman spectroscopy of single nanoparticles. T. Basché, A. Mews
11:00 — 53. Spectroscopy of single Si nanoparticles. S. K. Buratto, M. D. Mason, P. J. Carson, G. M. Credo
11:20 — 54. Photon antibunching in the fluorescence of single molecules embedded in a thin polymer film. F. Treussart, C. Grossman, R. Pansu, J. Roch
11:40 — 55. Non-Lorentzian spectral line shapes of single molecules: Beyond the sudden jump model. T. Plakhotnik
Section B
Unknown Site
Unknown Room
8:20 — 56. Size-dependent terahertz absorption of nanoscopic water pools. V. Colvin, J. Boyd, D. Mittleman
9:00 — 57. Recent developments in the theory of bulk and confined water. P. G. Debenedetti, J. R. Errington, T. M. Truskett
9:40 — 58. Structure, dynamics, and solvation in water confined within reverse micelles B. M. Ladanyi, J. Faeder, I. A. Borin
10:20 — Intermission.
10:40 — 59. Aquaporin water channel proteins. P. Agre
11:20 — 60. Molecular dynamics simulation studies of water in pores and cavities. D. Yarne, G. J. Martyna, M. E. Tuckerman, M. L. Klein
Section C
Unknown Site
Unknown Room
8:20 — 61. Nanoscale polymer, metal, and semiconductor replicas of colloidal crystals G. L. Egan, A. Shishido, S. Nishimura, I. B. Divliansky, T. S. Mayer, I. C. Khoo, T. E. Mallouk
8:40 — 62. Liquid crystals and self-assembled colloids. P. Wiltzius, P. Mach
9:20 — 63. Photonic bandgap properties of some inverse opaline structures. B. Gates, Y. Xia
9:40 — 64. Inside-out latex spheres: A one-step conversion of colloidal crystal to polymer net. Y. Chen, W. Ford, N. Materer, D. Teeters
10:00 — Intermission.
10:20 — 65. Manipulating colloidal crystallization for photonic applications. A. van Blaaderen
11:00 — 66. Superpacked colloidal crystals from soft nanoparticles. L. A. Lyon, J. D. Debord, M. T. Lofye
11:20 — 67. Quantifying order and disorder in colloidal crystal photonic bandgap structures. J. Ballato, J. DiMaio, E. Gulliver, S. Foulger, D. Carroll, D. Han, R. Riman
11:40 — 68. Role of disorder in thin film colloidal crystals. K. M. Kulinowski, L. M. Eschelman, V. L. Colvin, D. M. Mittleman
Section D
Unknown Site
Unknown Room
8:20 — 69. Fast-beam coincidence imaging studies of negative-ion photodetachment. R. E. Continetti, L. Alconcel, H. Deyerl
9:00 — 70. Rotationally resolved laser photoelectron spectroscopy of hot diatomic fragments formed in the photofragmentation of N2O, OCS and CS2 C. A. De Lange
9:40 — 71. Accurate determination of bond dissociation energies using pulsed field ionization schemes. C. Ng
10:00 — Intermission.
10:20 — 72. Threshold dissociation of molecules and clusters into ion pairs. J. W. Hepburn, Q. Hu, X. Hu, R. C. Shiell, J. D. D. Martin
11:00 — 73. High-resolution photoelectron spectroscopy: Pulsed field ionization studies at the advanced light source synchrotron. T. Baer, C. Y. Ng, X. Qian, T. Zhang
11:40 — 74. Photoionization and photoelectron studies of radicals as a source of accurate bond dissociation energies of neutral species. B. Ruscic
Section E
Unknown Site
Unknown Room
8:20 — 75. IVO-CASCI method for excited states and potential energy surfaces. K. F. Freed, R. K. Chaudhuri
9:00 — 76. Calculation of small transition energies in magnetic systems and definition of effective interactions in highly correlated materials. J. Malrieu
9:40 — Intermission.
10:00 — 77. Quasidiabatic and adiabatic potential energy surfaces for photochemical reactions. D. G. Truhlar, H. Nakamura, M. D. Hack, A. W. Jasper
10:40 — 78. Quantum Monte Carlo study of the addition of propargyl and acetylene: Pathways to cyclic hydrocarbons. W. A. Lester Jr., X. Krokidis, N. W. Moriarty, M. Frenklach
11:20 — 79. Semiempirical methods for excited state dynamics
of conjugated molecules. S. Tretiak, R. L. Martin, A. Saxena, A.
R. Bishop
Unknown Site
Unknown Room
1:40 — 80. Analysis of molecular structure and dynamics by selective single-molecule fluorescence spectroscopy. C. A. M. Seidel, E. Schweinberger, S. Berger, C. Eggeling, J. Schaffer, J. Widengren, S. Felekyan
2:20 — 81. Single molecule fluorescence studies of ribozymes and proteins. S. Chu
3:00 — 82. Single-molecule imaging and time-resolved fluorometry of an analog of adenine. M. Ishikawa, J. Ye
3:20 — Intermission.
3:40 — 83. Single-molecule disease diagnosis based on electrophoresis and spectroscopy. E. S. Yeung, M. R. Shortreed, Y. Ma, S. H. Kang, H. Li
4:20 — 84. Single-molecule imaging for the study of biological membranes. T. Schmidt
5:00 — 85. Theoretical studies of room-temperature single molecule experiments. J. Cao
Section B
Unknown Site
Unknown Room
1:40 — 86. Redox driven water gates Clostridium pasteurianum rubredoxin. C. E. Ergenekan, J. T. Fischer, T. Ichiye
2:10 — 87. DNA Chips: Theory and simulation. B. M. Pettitt
2:40 — 88. Water penetration and escape in proteins. A. E. Garcia, G. Hummer
3:10 — Intermission.
3:40 — 89. Crystal and solution forms of the calcium-binding protein calmodulin: Implications for function. J. Trewhella, D. Vigil, S. C. Gallagher, A. E. Garcia
4:20 — 90. Aqueous Simulations. W. F. van Gunsteren
Section C
Unknown Site
Unknown Room
1:40 — 91. Surface plasmon photonics: How to get light through subwavelength holes. T. W. Ebbesen
2:20 — 92. Synthesis and application of nanostructured metallic films templated by colloidal crystals. O. D. Velev, P. M. Tessier, A. M. Lenhoff, E. W. Kaler
3:00 — Intermission.
3:20 — 93. High resolution molding techniques for optical systems that use gratings or photonic crystals. J. A. Rogers, H. Y. Hwang, R. E. Slusher, A. Dodabalapur, M. Park
4:00 — 94. Selective self-organization of colloids on patterned polyelectrolyte templates. X. Jiang, K. Chen, H. Zheng, I. Lee, M. Rubner, L. Kimerling, P. T. Hammond
4:20 — 95. Nanowire array as potential 2-D photonic bandgap materials. M. Huang, Y. Wu, H. Yan, P. Yang
Section D
Unknown Site
Unknown Room
1:40 — 96. Electron autodetachment vs. argon predissociation: Solvent effects on "Fano" lineshapes M. A. Johnson
2:20 — 97. Photodetachment photoelectron spectroscopy of multiply charged anions. L. Wang
3:00 — 98. Photoelectron spectroscopy, gas phase acidity, and thermochemistry of the peroxyl radicals CH3O2 and CH3CH2O2 T. M. Ramond, S. J. Blanksby, G. E. Davico, M. R. Nimlos, S. Kato, V. M. Bierbaum, W. C. Lineberger, G. B. Ellison, M. Okumura
3:20 — Intermission.
3:40 — 99. Effects of charge delocalization in large systems monitored by photoelectron spectroscopy. R. Weinkauf
4:20 — 100. Photoelectron spectroscopy of cluster anions. K. H. Bowen Jr., O. Thomas, S. Xu, M. Nilles, W. Zheng, D. Radisic, G. Stock
5:00 — 101. First principles simulation of the lithium hydride anion photoelectron spectrum. G. I. Gellene, D. T. Chang, K. Reimann, G. Surratt
Section E
Unknown Site
Unknown Room
1:40 — 102. Excited state effects in the O + H2 reaction. G. C. Schatz, M. R. Hoffmann, S. K. Gray, G. G. Balint-Kurti
2:20 — 103. Three-body atomic collisions in recombination and collision-induced dissociation reactions. R. T. Pack, G. A. Parker, B. K. Kendrick, R. B. Walker
3:00 — 104. Sets of coupled potential energy surfaces for pre-reactive Van der Waals complexes: F-HF, Cl-HCl and Br-HBr J. M. Hutson
3:20 — Intermission.
3:40 — 105. Unimolecular dissociation dynamics of isomerically selected C3H5 radicals and electronic nonadiabaticity in NO2 dimer photofragmentation. L. J. Butler
4:20 — 106. Electronic structure and dynamics in the O4 system. R. Hernández
Section F
Unknown Site
Unknown Room
1:00 — 107. Award Address (Peter Debye Award in Physical
Chemistry, sponsored by E. I duPont de Nemours & Co). New approaches
to determining mechanisms of complex reactions J. Ross
8:00 - 10:00
203, 213, 218, 222, 223, 236, 241, 244, 252, 279, 280, 292, 293, 295, 296, 298, 303, 316, 328, 329, 333, 334, 338, 343, 353, 355.
108. Simulation studies of antifreeze proteins. W. H. Fink,
D. H. Nguyen, Y. Yeh, R. E. Feeney
8:20 — 109. Inhomogeneous broadening and single molecule fine-structure in surface-enhanced Raman spectra of proteins and amino acids. M. Käll, E. J. Bjerneld, H. Xu, P. Johansson
9:00 — 110. Probing single molecules and single nanoparticles by surface-enhanced Raman scattering. S. Nie
9:40 — 111. Correlation of SERS activity and micro-structure of silver colloids. Y. Maruyama, M. Ishikawa, M. Futamata
10:00 — Intermission.
10:20 — 112. Raman spectra of single R6G molecules on Ag nanocrystal aggregates. L. Brus
11:00 — 113. Ultrasensitive Raman spectroscopy at the single molecule level based on surface-enhanced Raman scattering on silver and gold colloidal clusters. K. Kneipp, H. Kneipp, I. Itzkan, R. R. Dasari, M. S. Feld
11:40 — 114. Photoactivated fluorescence from individual silver nanoclusters. L. A. Peyser, A. E. Vinson, A. P. Bartko, R. M. Dickson
Section B
Unknown Site
Unknown Room
8:20 — 115. Organic geochemistry of hydrothermal systems. E. L. Shock, A. Plyasunov, J. P. Amend
9:00 — 116. Water under pressure: Breaking of hydrogen bonds and molecular dissociation. G. Galli, E. R. Schwegler, R. Q. Hood, F. Gygi
9:40 — 117. High-quality x-ray scattering experiments on liquid water from 15°C to 70°C. G. L. B. Hura, R. M. Glaeser, V. Dadarlat, J. M. Sorenson, T. Head-Gordon
10:00 — Intermission.
10:20 — 118. Effect of osmolytes on thermal stability of homologues from hyperthermophilic and mesophilic organisms: Role of solution surface tension. M. F. Roberts, U. Mohanty, H. Yang
10:40 — 119. Specific volume and protein-water interactions in high pressure studies of protein folding. R. Winter, H. Seemann, C. Royer
11:20 — 120. Unsolved mysteries of water in its liquid and glassy phases. H. E. Stanley
Section C
Unknown Site
Unknown Room
8:20 — 121. Applications of molecules with large two-photon absorption cross sections to microfabrication. S. R. Marder, V. Alain, J. Brédas, K. Braun, J. K. Cammack, M. Halik, S. Kuebler, J. W. Perry, M. Rumi, W. Wenseleers, W. Zhou, B. Cumpston, M. Lipson
9:00 — 122. Holographic definition of photonic crystal structures. R. G. Denning, C. F. Blanford, D. N. Sharp, A. J. Turberfield
9:40 — Intermission.
10:00 — 123. Optical experiments on self-assembled photonic crystals. W. L. Vos, A. F. Koenderink, L. Bechger, J. F. Galisteo
10:40 — 124. Opals infiltrated with photorefractive chalcogenide glasses for non-linear optical applications. V. N. Astratov, A. M. Adawi, M. S. Skolnick, V. K. Tikhomirov, V. Lyubin
11:00 — 125. External optical probing of 2-D and 3-D photonic crystals. H. M. van Driel
11:40 — 126. Evolution of the higher order photonic band structure in fcc photonic crystals. Y. A. Vlasov, D. J. Norris
Section D
Unknown Site
Unknown Room
8:20 — Introductory Remarks.
8:40 — 127. From strong field molecular optics to generation of subfemtosecond pulses. M. Y. Ivanov
9:20 — 128. Studying multielectron physics with high intensity laser photoionization. L. D. Van Woerkom
10:00 — Intermission.
10:20 — 129. Coherent control of electronic wavefunctions in the strong field regime. H. C. Kapteyn, M. M. Murnane, R. Bartels, S. J. Backus, I. P. Christov
11:00 — 130. Strong field molecular photoelectron spectroscopy. N. P. Moore, R. J. Levis
11:30 — 131. Terahertz generation from four wave rectification in nonpolar gases. D. J. Cook, J. X. Chen, R. M. Hochstrasser
Section E
Unknown Site
Unknown Room
8:20 — 132. Treatment of strong correlation in low-lying molecular states via a state-specific multireference coupled cluster approach. D. Mukherjee
9:00 — 133. Interpreting weak covalent interactions with Dyson orbitals and their energies. J. V. Ortiz
9:40 — Intermission.
10:00 — 134. Solvent-induced curve crossings in cluster ions. A. Sanov, T. Sanford, D. Andrews, N. Delaney, R. Parson, W. C. Lineberger
10:40 — 135. Model-potential analysis of experimental and high-level ab initio potential curves (near Re) of several ground and excited states of M+Rg complexes (M = metal atom; Rg = rare-gas atom). W. H. Breckenridge, K. L. Burns, D. Bellert, A. W. Leung
11:20 — 136. Electronic structure of the ground and low-lying
excited states of the first row transition metal nitrides, MnN to ZnN J.
F. Harrison
1:20 — 137. Award Address (E. Bright Wilson Award in Spectrometry, sponsored by Rohm and Haas Company). Applications of high resolution spectroscopy: Interstellar chemistry and intermolecular interactions W. Klemperer
2:00 — 138. Award Address (ACS Award for Creative Invention, sponsored by ACS Corporation Associates). Reflections on the origins of ion cyclotron resonance spectroscopy J. D. Baldeschwieler
2:40 — 139. Award Address (George A. Olah Award in Hydrocarbon or Petroleum Chemistry, sponsored by ). Surface chemistry of hydrocarbon fragments on transition metals: Toward understanding catalytic processes F. Zaera
3:20 — Intermission.
3:40 — 140. Award Address (ACS Award in Theoretical Chemistry, sponsored by IBM Corp). Action-derived molecular dynamics in the study of rare events M. Parrinello
4:20 — 141. Award Address (Joel Henry Hildebrand Award in the Theoretical and Experimental Chemistry of Liquids, sponsored by ExxonMobil Research and Engineering Company and ExxonMobil Chemical Co). DNA condensation and viral packaging W. M. Gelbart
5:00 — 142. Award Address (Nobel Laureate Signature Award
for Graduate Education in Chemistry, sponsored by Mallinckrodt Baker Inc).
Photodissociation and charge transfer dynamics of negative ions using femtosecond
photoelectron spectroscopy M. T. Zanni, D. M. Neumark
Unknown Site
Unknown Room
8:20 — 143. Single molecule studies of artificial pulmonary lung surfactant. B. N. Flanders, S. A. Vickery, R. C. Dunn
9:00 — 144. 3-D Single molecule orientational microscopy and dynamics. R. M. Dickson
9:40 — 145. Probing surface diffusion heterogeneity at biomaterial interfaces with single-event histograms. D. L. Burden, S. D. Poppen, J. T. Elliott, J. T. Woodward, A. Sehgal
10:00 — Intermission.
10:20 — 146. Direct observation of the influence of oxygen on the singlet and triplet lifetime of single dye molecules. C. G. Hübner, I. Renge, A. Renn, U. P. Wild
11:00 — 147. Lateral diffusion of non-tethered phospholipids in polymer-tethered phospholipid membranes studied at the single molecule level. C. A. Naumann, P. C. Ke
11:20 — 148. Single molecule studies of heterogeneous dynamics near the glass transition. L. A. Deschenes, D. A. Vanden Bout
11:40 — 149. Time resolved fluorescence spectroscopy on the photo-physical behavior of single molecules and quantum dots. P. L. T. M. Frederix, W. G. J. H. M. Van Sark, D. J. Van den Heuvel, E. L. De Beer, H. C. Gerritsen
Section B
Unknown Site
Unknown Room
8:20 — 150. Protein misfolding: Amorphous and fibrillar protein deposits. A. L. Fink
9:00 — 151. Water and molecular recognition in proteins. M. M. Teeter
9:40 — 152. Ab initio studies of water in ligand/protein complexes. P. Carloni
10:20 — Intermission.
10:40 — 153. Hydrophobicity and liquid state structure in aqueous solutions of methanol. S. S. Dixit, W. C. K. Poon, J. Crain, J. L. Finney, A. K. Soper
11:00 — 154. Effects of molecular confinement on protein structure and stability. D. K. Eggers, J. S. Valentine
11:20 — 155. Mapping protein surfaces: Results for the coiled coil of HIV-1 gp41. G. Hummer, X. Siebert
Section C
Unknown Site
Unknown Room
8:20 — 156. Electron wavepacket dynamics in NO. H. H. Fielding, R. A. L. Smith, V. G. Stavros, J. R. R. Verlet
9:00 — 157. Femtosecond soft X-ray time-resolved photoelectron spectroscopy. S. R. Leone
9:40 — 158. Internal conversion in highly excited toluene monomers and dimers analyzed by femtosecond time-resolved photoelectron spectroscopy. P. Farmanara, V. Stert, W. Radloff, I. V. Hertel
10:00 — Intermission.
10:20 — 159. Photoelectron angular distributions as a probe of symmetry and dynamics. K. L. Reid
11:00 — 160. Femtosecond time-resolved measurements of photoelectron energy and angular distributions. C. C. Hayden
11:40 — 161. Photoelectron spectroscopy of isomerization dynamics in large molecules. J. L. Knee, S. Basu
Section D
Unknown Site
Unknown Room
8:00 — 162. Molecules in intense laser fields: Exact simulations for one- and two-electron systems. A. D. Bandrauk
8:40 — 163. Product kinetic energy for molecular dissociation in intense laser pulses. J. Paci, D. M. Wardlaw
9:20 — 164. Ionization of inner-valence electrons and fragmentation of molecules in an intense laser pulse. S. L. Chin, A. Talebpour, A. Becker, A. D. Bandrauk
10:00 — Intermission.
10:20 — 165. Ionization and dissociation pathways of diatomic molecules in strong laser fields. G. N. Gibson
11:00 — 166. 266-nm Ionization and dissociation of D2. D. W. Chandler, C. C. Hayden
11:40 — 167. Four-wave mixing and pump-probe studies of strong-field effects on gas phase molecules. I. Pastirk, M. Comstock, E. J. Brown, V. V. Lozovoy, M. Dantus
Section E
Unknown Site
Unknown Room
8:20 — 168. Conical intersections, topological phase, and symmetry of vibronic ground states H. Koizumi
9:00 — 169. Topological effects in molecular systems and the extended Born-Oppenheimer approximation. M. Baer
9:40 — 170. Simulation of vibronic spectra using coupled-cluster excited state methods. J. F. Stanton, K. W. Sattelmeyer
10:20 — Intermission.
10:40 — 171. Exploring excited state potential energy surfaces using similarity transformed equation of motion coupled cluster theory. M. Nooijen, M. Wladyslawcki
11:20 — 172. Recent advances in multireference Moeller-Plesset
method. K. Hirao
Unknown Site
Unknown Room
1:40 — 173. Molecular scale environments in organic and inorganic composite films probed by single molecule spectroscopy. D. A. Higgins, M. M. Collinson, A. M. Bardo, E. Mei, Y. Hou, R. Allenbaugh, S. Ginagunta
2:20 — 174. Single molecule spectroscopy of conjugated polymers. P. F. Barbara, D. Hu, J. Yu, N. W. Song
3:00 — 175. Single molecule probing of nanoscale polymer dynamics. M. F. Garcia-Parajo, J. A. Veerman, R. Bouwhuis, R. Vallee, J. G. Vancso, N. F. van Hulst
3:20 — Intermission.
3:40 — 176. Intermittency of activated events in single molecules. P. Wolynes
4:20 — 177. Imaging the excitation profile of a confocal microscope for correlated fluorescence/AFM of individual nanosized particles and biomolecules. A. Van Orden, D. Willard, L. Kolodny, L. Carillo, M. Nelson
4:40 — 178. Probing single-ion luminescence in rare-earth doped nanocrystals. M. D. Barnes, A. Mehta, T. Thundat, R. Bhargava
5:00 — 179. Excitons and polaritons in individual J-aggregate fibers and organic-inorganic CdSe nanocrystal systems. M. Vacha, S. Takei, H. Suzuki, K. Hashizume, M. Furuki, L. S. Pu, T. Tani
Section B
Unknown Site
Unknown Room
1:40 — 180. Scoring functions for protein fold recognition: Physical chemistry vs. bioinformatics R. M. Levy
2:20 — 181. Structural and dynamical properties of water next to micellar surface. M. L. Berkowitz, C. D. Bruce, L. Perera, M. D. E. Forbes
3:00 — 182. Simulating liquid-liquid phase equilibria. B. Chen, J. M. Stubbs, J. I. Siepmann
3:20 — Intermission.
3:40 — 183. Hydrated ions and ion channel selectivity. S. B. Rempe, L. R. Pratt
4:00 — 184. Intermolecular interactions and dynamics in aqueous (bio)polymers. E. W. Castner Jr., H. Shirota, P. P. Wiewiór
4:20 — 185. Probing molecular association in water. A. K. Soper, A. Luzar
4:40 — 186. Using osmotic stress measurements of the change in associated water as a probe for structural changes in proteins. V. J. LiCata
Section C
Unknown Site
Unknown Room
1:40 — 187. Using electronic continua in time-resolved photoelectron spectroscopy. A. Stolow, M. Schmitt, J. P. Shaffer, T. Schultz, J. Underwood
2:20 — 188. Time-resolved photoelectron angular distributions as a probe of coupled polyatomic dynamics: Concepts and applications. T. Seideman
3:00 — 189. Time-resolved photoelectron spectroscopy of carbon cluster anions. D. M. Neumark
3:20 — Intermission.
3:40 — 190. Femtosecond pump-probe photoelectron spectra of wavepackets in small molecules. Y. Arasaki, K. Takatsuka, K. Wang, V. McKoy
4:20 — 191. Molecular billiards: Coherently controlled ion formation. C. Jouvet
5:00 — 192. Ammonia cluster fragmentation controlled by time-delayed IR femtosecond laser pulses. W. Radloff, P. Farmanara, H. Ritze, V. Stert, I. V. Hertel
5:20 — Concluding Remarks.
Section D
Unknown Site
Unknown Room
1:40 — 193. Control of molecular motion: The molecule knows best. H. Rabitz
2:20 — 194. Strong field ionization and dissociation of polyatomic molecules. R. J. Levis
2:50 — Intermission.
3:20 — 195. Small and medium mass molecules bathed in intense laser light above and below the Coulomb explosion threshold. K. W. D. Ledingham
4:00 — 196. Experimental and theoretical studies on the field ionization of some molecules. F. Kong
4:30 — 197. Photoionization/dissociation of organic molecules using high-field uv femtosecond pulses. N. Winograd
Section E
Unknown Site
Unknown Room
1:40 — 198. Understanding a catalyst system for product design. J. T. Golab, A. B. Ernst, E. J. Moore, L. Bormann-Rochotte, A. K. Rappé
2:20 — 199. Local excited states in the condensed phase. E. A. Carter
3:00 — 200. Spectroscopic determination of the potential energy surfaces for the out-of-plane ring modes of indan and related molecules in their ground and excited electronic states. Z. Arp, K. Morris, J. Choo, S. Sakurai, J. Laane
3:20 — Intermission.
3:40 — 201. Quantum dynamics of large systems: Methodology and applications. N. Makri
4:20 — 202. Challenge of high resolution dynamics. J. M. Bowman,
S. Skokov, K. Peterson
7:00 - 10:00
Cluster and gas-phase spectroscopy and scattering.
203. Dissociative photodetachment dynamics of the sulfur oxides (SO2)3- and SO3-(H2O). T. G. Clements, A. K. Luong, R. E. Continetti
204. Evidence for forming the sole excited sulfur (1D) state from 193 nm photodissociation of thietane. F. Qi, L. S. Sheng, T. Baer, D. M. Neumark
205. Excited state relaxation dynamics of linear carbon cluster anions. A. E. Bragg, C. Frischkorn, A. V. Davis, R. Wester, D. M. Neumark
206. Femtosecond time-resolved studies of internal conversion in DABCO. J. A. Davies, K. L. Reid, C. C. Hayden
207. High resolution photoelectron studies of amine and ether complexes with early transition metal atoms. D. Yang, S. Li, G. K. Rothshopf
208. Microwave and ab initio investigation of H3N-HF-HF. S. W. Hunt, K. J. Higgins, M. Craddock, C. S. Brauer, K. R. Leopold
209. Negative ion photoelectron spectroscopy: Polycyclic aromatic hydrocarbons. K. M. Ervin, T. M. Ramond, G. E. Davico, R. L. Schwartz, W. C. Lineberger
210. New sources and software for submillimeter spectroscopy. B. J. Drouin, E. A. Cohen, J. C. Pearson, C. E. Miller, H. M. Pickett
211. Photelectron spectroscopy of XenI- clusters. N. L. Pivonka, T. Lenzer, H. Gómez, M. R. Furlanetto, D. M. Neumark
212. Photodetachment of sulfur oxide and sulfur cluster anions. C. M. Laperle, H. Deyerl, L. S. Alconcel, R. E. Continetti
213. Photodetachment studies of enolates. L. S. Alconcel, H. Deyerl, R. E. Continetti
214. Photodissociation dynamics of 1,3,5-hexatriene and the phenyl radical at 193 nm S. A. Harris, J. C. Robinson, D. M. Neumark
215. Photodissociation dynamics of the propargyl and vinyl radicals at 193 nm. J. C. Robinson, S. A. Harris, D. M. Neumark
216. Probing radicals with the vacuum UV. D. S. Peterka, P. M. Regan, T. Baer, R. C. Cohen, D. M. Neumark, M. Ahmed
217. Rotationally resolved pulsed field ionization photo-electron spectra of N2+ (X 2Sg+ and A 2Pu)state. X. Qian, Y. Song, C. Y. Ng
218. Spectroscopy and dynamics by stimulated Raman pumping of gas-phase anions. M. R. Furlanetto, N. L. Pivonka, M. J. Nee, D. M. Neumark
219. State-resolved translational energy distributions for NCO photodissociation. A. A. Hoops, R. T. Bise, J. R. Gascooke, D. M. Neumark
220. Study of metastable products in cluster systems. J. R. Stairs, T. Dermota, E. S. Wisniewski, A. W. Castleman Jr.
221. Three conformers observed and characterized in butyl acetylene. K. Atticks, R. K. Bohn, H. H. Michels
222. Toward magnetic resonance of vibrationally excited diatomic molecules. S. M. Cureton, P. B. Kelly, M. P. Augustine
223. Translational control of Rydberg atoms in electric fields. D. Townsend, S. R. Procter, A. L. Goodgame, T. P. Softley
224. Two-photon ionization photoelectron spectroscopy of 1,3-cyclohexadiene via the ultrashort-lived 1B2 state W. Cheng, R. C. Dudek, C. L. Evans, J. L. Gosselin, P. M. Weber
225. Vibrational autoionization dynamics in ammonia. J. A. Bacon, C. A. Raptis, S. T. Pratt
226. Vibrational effects in collision-induced dissociation dynamics of diatomic ions. J. S. Miller, R. A. Dressler, Y. Chiu, D. J. Levandier
227. Vibrational energy loss and solvent evaporation in I2-(Ar)n and I2-(CO2)n clusters excited by femtosecond stimulated emission pumping. A. V. Davis, R. Wester, A. E. Bragg, D. M. Neumark
228. X-ray photoelectron spectroscopy of porphycenes: Charge asymmetry across low-barrier hydrogen bonds. A. Ghosh, J. Moulder, M. Bröring, E. Vogel
229. Field induced ionization of benzene. N. P. Moore, A. N. Markevitch, K. Plass, R. J. Levis
230. Determination of the IR spectra of alkyl peroxy radicals. D. A. Mah, J. A. Cabrera, S. K. Sharma, S. L. Nickolaisen
231. Photodissociation dynamics of ozone using raman excitation profiles (REPs). E. S. Lotfi, C. Kittrell, B. R. Johnson, J. L. Kinsey
Kinetics: Atmospheric and environmental physical chemistry.
232. Ab initio study of the kinetics of the reactions of H atoms with a series of chloromethanes: Implications in combustion chemistry. T. C. Allison, C. A. Gonzàlez, F. Louis, J. Sawerysyn
233. Conformational properties of a series of hydrofluoroethers: Implications in atmospheric chemistry. F. Louis, C. A. Gonzàlez, R. E. Huie, M. J. Kurylo
234. Fourier transform IR spectroscopy study of formaldehyde formation from reactions of isoprene and nitric oxide in air. S. Li, R. M. Olegario, J. L. Banyasz, K. H. Shafer
235. Reaction kinetics of HCCl + nitrogen oxides. J. F. Hershberger, R. E. Baren, M. A. Erickson
236. Surface Characterization of HNO3/H2O and ClONO2/H2O Ices by Raman spectroscopy and TPD-MS. C. D. Zangmeister, J. E. Pemberton
237. Determination of the potential energy surfaces for the reactions of OH radicals with haloalkanes: Implications in atmospheric chemistry. F. Louis, C. A. Gonzàlez, R. E. Huie, M. J. Kurylo
238. Kinetics and mechanism of Ru(III)-catalyzed oxidation of aliphatic amines by Mn(III)sulfate in aqueous sulfuric acid medium. M. A. Rao, V. B. Chary
239. Modeling of temperature, surface area, scaling, initial atmosphere, and water content on pressure in 3013-99 storage containers containing PuO2 E. W. Moody, J. L. Lyman, D. K. Veirs
Condensed-phase spectroscopy and dynamics.
240. Contraction and structurally ordering in ethyl alcohol-water solutions. E. K. Khodzjieva, A. K. Khodjieva
241. Electron photodetachment from complex anions: Fe(CN)64- and CuBr2-. V. A. Lenchenkov, J. A. Kloepfer, V. H. Vilchiz, S. E. Bradforth
242. Fluorescence spectra of 4-(dimethylamino)benzaldhyde in acidic solution. M. B. Jacobs, P. W. Jagodzinski
243. Inter- vs. intramolecular energy transfer in linear azo compounds V. P. McCaffrey, M. D. E. Forbes
244. Mapping the relaxation dynamics of hot photoinjected electrons in liquid water. V. H. Vilchiz, J. A. Kloepfer, A. C. Germaine, V. A. Lenchenkov, S. E. Bradforth
245. Matrix isolation and ab initio investigation of the role of H2O2 in hydrogen bonding. B. S. Ault, J. Goebbel, J. E. Del Bene
246. Matrix isolation and density functional study of the reaction of OVCl3 with NH3: Synthesis and spectrum of Cl2V(O)NH2. B. S. Ault
247. Photochemistry and spectroscopy of "stable organic intermediates": Steric and electronic effects in photoinduced electron-transfer reactions. M. Canepa, K. W. Kittredge, M. A. Fox, J. K. Whitesell
248. Push-pull compounds: Resonance Raman studies of solvent-dependent vibrational and vibronic properties. A. M. Moran, D. S. Egolf, C. Delbecque, M. Blanchard-Desce, A. M. Kelley
249. Resonance Raman and ab initio study of symmetry breaking in aqueous nitrate anion. M. R. Waterland, D. Stockwell, A. M. Kelley
250. Solvatochromic correlations of new fused benzothiophene derivatives based on their electronic absorption and fluorescence spectra. M. Zouhair, A. Adenier, J. Aaron, C. Parkanyi, J. Svoboda
251. Spectroscopic studies of flavones. D. Athanasopoulos, J. Tyszkiewicz
252. Spectroscopy of aggregated dye molecules within chalcogenophosphate lattices. J. S. Holt, A. H. Francis, T. Coradin, R. Clement
253. Tb(III)®Pr(III) energy transfer rate constants in Tb(III)-Pr(III) pairs. Y. An, P. S. May
Equilibrium statistical mechanics and thermodynamics of condensed matter.
254. Critical differences in complexation thermodynamics of native and monoamino-b-cyclodextrins. M. V. Rekharsky, Y. Inoue
255. Electron-flow across the solute/solvent interface: A combined QM/MM and BLW-ED study. Y. Mo, J. Gao
256. Melting of a quasi-2-D metallic system. D. Chekmarev, D. W. Oxtoby, S. A. Rice
257. Molecular dynamics simulations of soft sticky dipole water. A. Chandra, J. T. Fischer, T. Ichiye
258. Solubility of acetylene in hydrocarbons. E. M. Olano, R. J. Cattolica, F. A. Williams
259. Ternary phase diagrams of water-alcohol systems. E. Winata, L. Wolf, J. P. Hagen III
260. Finite temperature behavior and potential energy landscape of H3O+(H2O)7. R. A. Christie, K. D. Jordan
Quantum chemistry and quantum dynamics.
261. Assessment of the "best" quantum chemistry description of the ethyl + O2 reaction. A. Andersen, E. A. Carter
262. Ab initio molecular dynamics studies of halide-water clusters. Q. Nguyen, I. Kuo, D. J. Tobias
263. Ab initio studies of difluorophosphaazirine and other CF2NP isomers. R. R. Pandey, Y. G. Khait, M. R. Hoffmann
264. Ab initio study of the rate constants for the reactions of Cl atoms with isotopic methane. D. Robichaud, F. Tao, S. Hewitt
265. Comparison of acidities for the strong acids H2SO4, HClO4, FSO3H, and ClSO3H K. H. Weber, F. Tao
266. Gas-phase reorganization energies of polycyclic aromatic compounds. X. Amashukeli, V. Kapinus, N. E. Gruhn, G. A. Blake, D. L. Lichtenberger, H. B. Gray
267. Correlation and multi-state effects on the electronic coupling element for electron transfer reactions. R. J. Cave, S. Daniels, M. J. Rust
268. Density functional theory of ground and excited states of tris(2,2'-bipyridine)iron(II) J. H. Rodríguez
269. Dynamic absorption contour visualization of coherent wave packet motion. W. F. Beck, W. M. Diffey, E. A. Carson
270. Dynamical studies of charged Ne clusters. D. Athanasopoulos, C. Ilarina
271. Fixed node diffusion Monte Carlo characterization of Cu-doped Si clusters. I. Ovcharenko, W. A. Lester Jr., C. Xiao, F. Hagelberg
272. Gas-phase reactions of sulfur trioxide, water, and ammonia L. J. Larson, F. Tao
273. Hydrogen abstraction from methanol by halogen atoms. O. Couronne, W. A. Lester Jr.
274. INDO in periodic boundary conditions: The band structure of poly(para-phenylenevinylene). J. D. Weibel, D. Yaron
275. Limited fixed sample optimization in quantum Monte Carlo : The challenge of optimizing correlated wavefunctions for large chemical systems. A. Aspuru-Guzik, O. Couronne, I. Ovcharenko, W. A. Lester Jr.
276. Pentadienyl cyclization reaction. C. Martinez, A. L. Cooksy
277. Perturbative inclusion of triple and quadruple electron excitations in MRCI. M. R. Hoffmann, Y. G. Khait
278. Quantum mechanical investigation of the reaction of sodium chloride with chlorine nitrate in a hydrated environment. F. Tao, L. Thorngren
279. Quantum minimum energy path mapping and rate calculation in neon clusters. Y. Brumer, D. Reichman
280. Quantum Monte Carlo study of CO2+ stability and ELF characterization of bonding. A. Kollias, W. A. Lester Jr.
281. Solvent effects of water molecules on gas-phase reactions. F. Tao
282. Systematic test of the full multiple spawning method for photochemical dynamics. A. M. Wensmann, M. D. Hack, D. G. Truhlar, T. J. Martínez
283. Theoretical study of charged Ar clusters. D. Athanasopoulos, W. Aqil
284. Theoretical study on the mechanism of cytosine deamination by water. A. C. Sumulong, F. Tao
285. Accurate quantum chemistry in plane wave and augmented plane wave basis. P. Pulay, L. Füsti-Molnár
286. Comparison of ZnF,ZnO and CaF,CaO and the effect of the filled 3d shell on Zn J. F. Harrison
287. Relocalization in floppy free radicals: The OCNO and OCCHO isoelectronic series. A. L. Cooksy
288. Reaction class transition state theory: A microcanonical approach. S. Zhang, T. N. Truong
Physical chemistry of materials from nanoparticles to macromolecules.
289. Effect of molecular weight on the miscibility of polystyrene and poly(4-methylstyrene). W. Emor, C. Liling
290. Electron transfer dynamics in nanomaterials. T. Lian, J. B. Asbury, N. A. Anderson, E. Hao, W. Goh, X. Ai
291. Fluorescence studies of Coumarin 343 encapsulated in silica nanoshells. B. T. Langdon, E. Mansfield, N. E. Levinger
292. Light scattering methods applied to surface enhancing nanoparticles. K. L. Kelly, G. C. Schatz, R. P. Van Duyne
293. Long distance electron transfer at molecule - nanocrystalline semiconductor interfaces. W. Guo, W. Zhang, P. Qu, E. Galoppini, G. J. Meyer
294. Molecular polarizability of semiconductor clusters and nanostructures. F. Torrens
295. Monodisperse core-shell colloidal spheres of zinc sulfide and silica for photonic applications. K. P. Velikov, A. V. Blaaderen
296. Photodegradation of fluorinated acrylic polymers in supercritical CO2. H. Yashiro, M. D. E. Forbes
297. Spectral fluctuation dynamics of site-specific surface enhanced raman scattering. L. Zhu, H. P. Lu
298. Spectroscopic investigation of macrocyclic poly(9,9,-dimethyl-2-vinylfluorene) as an artificial light harvester J. M. Johnson, A. C. Germaine, J. A. Kloepfer, X. Zhang, K. Alberty, T. Hogen-Esch, S. E. Bradforth
299. Surface-enhanced Raman spectra of pyridine and 4-cyanopyridine on metal nanoparticles. C. Zuo, G. P. Glaspell II, P. W. Jagodzinski
300. Surface-enhanced Raman spectra using copper nanoparticles: The effects of particle size and morphology. G. P. Glaspell II, C. Zuo, P. W. Jagodzinski
301. Unusual behavior of carbonized ion-implanted polymers. A. E. Burns, G. Du, A. J. Epstein
Physical chemistry of colloids, surfaces, and interfaces
302. Desorption isotherms of iodine from activated carbon catalyst. J. Zhao
303. Diffusion of counterions surrounding surfactant micelles investigated using molecular dynamics techniques. C. D. Bruce, M. L. Berkowitz, L. Perera, M. D. E. Forbes
304. Effects of alkyl chain length on the fluorescence of 9-alkylfluorenyl thiol self-assembled monolayers on gold. K. W. Kittredge, M. A. Fox, J. K. Whitesell
305. Hydrated electrons as intermediates in the iron-activated, chloride-catalyzed reaction of magnesium with water I. A. Taub, S. LaGambina, W. Roberts, K. Kustin
306. Kinetics of loss of molybdenum in catalyst. J. Zhao, M. Zhao, L. Liu
307. Liposomal encapsulation of colloidal materials. C. Evans, E. Kisak, C. Boyer, J. Zasadzinski
308. Modeling reactions of electron-deficient centers with silica surfaces. J. M. Christensen, J. P. Blitz, C. A. Deakyne
309. Optical properties of encapsulated crystalline colloidal arrays under mechanical stress. S. H. Foulger, P. Jiang, A. C. Lattam, J. Ballato, D. W. Smith Jr.
310. Optical properties of swollen encapsulated crystalline colloidal arrays. S. Kotha, A. C. Lattam, S. Foulger, P. Jiang, D. W. Smith Jr., J. M. Ballato
311. Probing molecules transport across interfaces using molecular dynamics techniques. L. X. Dang
312. Solid-state NMR study of the topology of the acid sites in aluminated MCM-41 prepared by "post-grafting". P. Barré, A. Blumenfeld
313. The structure and dynamics of water at hydrophobic interfaces studied through vibrational sum frequency generation. M. G. Brown, L. F. Scatena, D. S. Walker, G. L. Richmond
314. Vibrational sum frequency spectroscopy studies of water structure at the CaF2/H2O interface. K. A. Becraft, G. L. Richmond
315. Femtosecond IR study of solvation dynamics in nanoparticle/liquid interface. T. Lian, J. B. Asbury, N. A. Anderson, E. Hao, W. Goh, X. Ai
Biophysical chemistry.
316. Analysis of a ten-nanosecond molecular dynamics simulation of mouse acetylcholinesterase. K. Tai, T. Shen, U. Börjesson, M. Philippopoulos, J. A. McCammon
317. Analysis of the FT-Raman spectrum of Gramicidin S. G. C. Jones Jr., D. M. Sperger, R. J. Nascimento, S. A. Broadbent, H. E. O'Donnell
318. Assessment of the activity of phospholipase A2 immobilized in a sol-gel matrix. L. Fuentes, S. Otero, M. Reyes, R. Morales, E. Quiñones
319. Biotopological chiralities of proteins. D. Gurel, O. Gurel
320. Calculating electronic structure and optical properties of proteins. J. D. Hirst
321. Cooperative permeation in the KcsA potassium channel. J. Lin, J. Gwan, A. Baumgaertner
322. Hydration dynamics of partially unfolded proteins. A. Razmara, I. Kuo, D. J. Tobias
323. Ligand screening in a host-guest system using the l-dynamics method. K. V. Damodaran, S. Banba, C. L. Brooks III
324. Molecular dynamics simulation of a tryptophan containing peptide at a membrane/water interface. O. Ma, D. J. Tobias
325. Molecular dynamics simulations of Clostridium pasteurianum rubredoxin in solution and crystalline environments. C. E. Ergenekan, T. Ichiye
326. Molecular dynamics study of Pagothenia Borchgrevinki antifreeze glycoprotein. D. H. Nguyen, W. H. Fink, M. E. Colvin, Y. Yeh, R. E. Feeney
327. NMR and optical birefringence studies of magnetically and electrically aligned pf1 bacteriophage. S. A. Riley, S. Vyas, M. P. Augustine
328. Probing conformational diffusion on the protein folding energy landscape: Kinetic heterogeneity in ultra-fast folding reactions of cytochrome c. R. A. Goldbeck, E. Chen, R. M. Esquerra, Y. G. Thomas, D. S. Kliger
329. Probing the tautomerization environment of base-pairs in DNA. O. K. Abou-Zied, R. Jimenez, F. E. Romesberg
330. Protein folding calculations on the IgG binding domain of peptostreptococcal protein L. M. S. Lee, C. L. Brooks
331. Residue substitution effects on peptide dynamics: Using time-resolved fluorescence anisotropy to probe tyrosine and indoline containing peptides. M. W. Allen, T. G. Bothwell, K. D. Osborn, C. K. Johnson
332. Sequence-dependent dynamics of b-hairpin peptides measured with a novel fluorescent probe. R. R. Hudgins, H. Fang, G. Gramlich, W. M. Nau
333. Spectral probes of antigen-antibody dynamics. R. Jimenez, O. K. Abou-Zied, F. E. Romesberg
334. Structural and dynamical analysis of water in acetylcholinesterase. R. Henchman, K. Tai, T. Shen, U. Börjesson, M. Philippopoulos, J. A. McCammon
335. Thermodynamic and structural studies of the association of cyanine dyes with DNA. J. T. Petty, J. A. Bordelon, K. J. Feierabend, S. A. Siddiqui, L. L. Wright, K. E. Dungey
336. Thermodynamics of proton dissociations for L-histidine. J. J. Jardine, B. A. Patterson, E. M. Woolley
337. Water dynamics of bacteriorhodopsin near the retinal Schiff base. I. Kuo, D. J. Tobias
338. Wavelength dependent cis-trans isomerization in vision. J. E. Kim, R. A. Mathies
339. Characterization of a transmembrane receptor protein by fluorescence correlation spectroscopy. T. Wohland, H. Pick, A. Preuss, R. Hovius, H. Vogel
340. Anharmonic vibrational spectroscopy of biological molecules: Use of ab initio, empirical, and hybrid (QM/MM) potentials G. M. Chaban, R. B. Gerber, J. O. Jung, S. K. Gregurick
341. Chromophore charge states and the proton shuttle mechanism in green fluorescent protein: Inferences drawn from calculated vibronic spectra. P. W. Langhoff, H. Y. Yoo, J. A. Boatz, V. Helms, J. A. McCammon
342. Metal nanoparticle substrates for single-molecule enzymology: the case of horse radish peroxidase. E. J. Bjerneld, Z. Földes-Papp, R. Rigler, M. Käll
343. Aggregation of individual eYFP-labeled human cardiac L-type calcium channels in living cell membranes. G. S. Harms, L. Cognet, P. H. M. Lommerse, G. A. Blab, H. Kahr, N. Soldatov, C. Romanin, T. Schmidt
Studies of single-molecules.
344. Single molecule imaging in Caulobacter crescentus. M. F. Paige, E. Judd, L. Shapiro, W. E. Moerner
345. Photoluminescence from a single organic nanocrystal embedded in a sol-gel thin film. F. Treussart, S. Brasselet, J. Zyss, J. Roch, N. Sanz, P. L. Baldeck, A. Ibanez
346. Temporal fluctuations of the copper site vibrational modes in the MD simulation of the single molecule plastocyanin. A. R. Bizzarri, S. Cannistraro
General physical chemistry.
347. Ascorbate induced oxidation of formate by persulfate: Carbon dioxide and oxalate yields. M. A. Curtin, I. Taub, K. Kustin, N. Sao
348. Ferrate(VI) oxidation of aqueous aniline and phenol. D. A. Sommerfeld, H. Huang, E. M. Eyring, B. C. Dunn, C. R. Lloyd
349. Hard to swallow dry: New insights for the anhydrous decomposition of Acetylsalicylic Acid. G. T. Long, S. Vyazovkin, N. Gamble, C. A. Wight
350. Kinetics of the thermal isomerization of 1,1,2-trimethyl- and 1,1,2,2- te tramethyl-cyclopropane B. L. Kalra, D. K. Lewis, J. Cho, J. Schlier, S. M. Hughes, D. Mish, K. Wilkinson, S. Wilkinson
351. Optical properties of a kind of transparent resin containing rare earth complex. Q. Lin, D. Wang, B. Yang
352. Oscillations in the absorption of BIC-J-aggregates in water solutions in the process of their formation and growth. I. A. Struganova
353. Radiation-induced conversions of hydrocarbons in environments relevant to Pluto. R. M. Gallagher, R. F. Ferrante, M. H. Moore
354. Spectroscopic evidence for an equilibrium between eight and nine-coordinate Eu(III) ions in dilute aqueous solution. J. Sun, M. T. Berry
355. Stereochemistry of the retro Diels-Alder
reaction of cis,exo-5,6-d2-Bicyclo[2.2.2]oct-2-ene
D. K. Lewis,
D. A. Glenar, S. M. Hughes, B. L. Kalra, J. Schlier, R. J. Shukla, J. E.
Baldwin
Unknown Site
Unknown Room
8:20 — 356. Observation of charge and energy transfer in single photosynthetic reaction centers. J. Wrachtrup, F. Jelezko, C. Tietz
9:00 — 357. Single-molecule spectroscopic studies of light-harvesting complexes of photosynthetic bacteria. J. Schmidt
9:40 — 358. Energy transfer studies of single phycoerythrocyanin molecules. P. Zehetmayer, H. Scheer, C. Bräuchle, A. Zumbusch
10:00 — Intermission.
10:20 — 359. Equilibrium fluctuations and energy transfer of reactions and conformational dynamics of proteins. R. M. Hochstrasser, E. Mei, J. Tang, M. Lee
11:00 — 360. Multichromophoric dendrimers: Model systems for the study of energy transfer processes in antenna systems. F. C. De Schryver, J. Hofkens
11:20 — 361. Hidden Markov models applied to time correlated single photon trajectories of single molecules. D. S. Talaga
11:40 — 362. NSOM measurements of single human retinal lipofuscin granules. J. D. Simon, L. E. Lamb, R. C. Dunn, J. R. Krogmeier, T. Sarna, C. M. R. Clancy, N. M. Haralampus-Grynaviski, A. Pawlak, M. Rozanowska
Section B
Unknown Site
Unknown Room
8:20 — 363. Layer analysis of the structure and dynamics of water confined in Vycor glass. M. A. Ricci, P. Gallo, M. Rovere, F. Venturini
9:00 — 364. Dynamics of water confined in reverse micellar media. N. E. Levinger, E. M. Corbeil
9:40 — 365. Water in transmembrane pores: Simulation studies. M. S. P. Sansom, P. C. Biggin, O. Beckstein, D. P. Tieleman
10:20 — Intermission.
10:40 — 366. Characterization of an AOT/isooctane/water microemulsion in the L2 phase region where clustering occurs. R. R. Burnette
11:20 — 367. Theoretical studies of biological ion channels. B. Roux, S. Berneche
Section C
Unknown Site
Unknown Room
8:20 — 368. Strategies for spin-orbit coupling calculations. C. M. Marian
9:00 — 369. Quantum mechanical study of the H2 + Cl(2P1/2,2P3/2) reaction on new coupled potential energy surfaces H. Werner
9:40 — 370. X1 2P3/2 and X2 2P1/2 Potentials of the halogen monoxides (XO). C. E. Miller, B. J. Drouin, E. A. Cohen
10:00 — Intermission.
10:20 — 371. Quasidegenerate perturbation theory with quasi-complete active space self-consistent field reference functions. H. Nakano
11:00 — 372. Excited state potential energy surfaces: From diatomics to biomolecules. M. S. Gordon, D. Fedorov, G. M. Chaban, C. Ng
11:40 — 373. Nonadiabatic coupling matrix elements from the SC-QDPT method. T. J. Dudley, Y. G. Khait, M. R. Hoffmann
Section D
Unknown Site
Unknown Room
8:20 — 374. Ultra intense laser fields inducing ultrafast chemistry: Multielectron ionization and coulomb explosion of molecules and clusters. J. Jortner, I. Last
9:00 — 375. Studies of cluster dynamics and Coulomb explosion in intense optical fields. A. W. Castleman Jr., D. Card, D. Folmer, E. Wisniewski, J. Stairs, S. Hurley, T. Dermota
9:30 — 376. Strong field laser excitation in condensed phases. C. J. Bardeen
10:10 — Intermission.
10:40 — 377. Generation and application of X-radiation by interaction of ultrashort high-intensity laser pulses with condensed matter. C. Rose-Petruck, Y. Jiang, W. Li, G. Ketwaroo, G. Cao, C. Wu
11:20 — 378. Coulomb explosion and kinetic energy release in
heterocyclic compounds. D. A. Card, D. E. Folmer, E. S. Wisniewski,
A. W. Castleman
Unknown Site
Unknown Room
1:40 — 379. Single molecule studies of living colors and transmembrane proteins on cells. M. F. Garcia-Parajo, B. I. de Bakker, M. Koopman, C. Figdor, N. F. van Hulst
2:00 — 380. Phonon-assisted exciton delocalization in 1-D biological antenna complexes. Z. G. Yu, X. Song
2:20 — 381. Single molecule rotational mobility in glassy state polymers. A. P. Bartko, R. M. Dickson
2:40 — Intermission.
3:00 — 382. Observation of single molecule diffusion in liquids near interfaces. J. Schuster, F. Cichos, J. Wrachtrup, C. von Borczyskowski
3:20 — 383. Luminescence lifetimes of single molecules in disordered media. T. Plakhotnik, E. A. Donley
3:40 — 384. Submicron structure of a Shpol'skii matrix: A single-molecule study of dibenzanthanthrene in n-tetradecane. A. Bloeß, Y. Durand, M. Matsushita, E. J. J. Groenen, J. Schmidt
Section B
Unknown Site
Unknown Room
1:20 — 385. Europa's ocean and other oceans in the outer solar system. D. J. Stevenson
2:00 — 386. Temperature and hydration dependence of protein dynamics examined by macromolecular simulation. B. R. Brooks, P. J. Steinbach
2:40 — 387. Spectroscopic probes of the aqueous environment under varying density conditions. S. L. Wallen, E. D. Dawson, L. K. Schoenbachler
3:20 — Intermission.
3:40 — 388. High-temperature Raman investigation of concentrated sulfuric acid. G. E. Walrafen, Y. C. Chu
4:00 — 389. How local density enhancements influence solute reaction rates in supercritical water. S. Tucker, R. Behera, B. Bashore
4:40 — 390. Rapid calculation of free energy and solution structure with high level ab initio models of water and aqueous solutes. R. H. Wood, W. Liu, D. J. Doren
Section C
Unknown Site
Unknown Room
1:40 — 391. Conical intersections in non-adiabatic chemistry: Applications to photochemical and electron transfer processes. M. A. Robb, L. Blancafort, E. Fernandez, P. Hunt, M. Olivucci
2:20 — 392. Conical intersections: Topography, connectivity, and nuclear dynamics D. R. Yarkony
3:00 — Intermission.
3:20 — 393. Vibrationally resolved negative ion photoelectron spectroscopic studies of small metal clusters. D. G. Leopold
4:00 — 394. Transition state spectroscopy in clusters. D. M. Neumark
4:40 — 395. Spectral theory of chemical bonding: New methods for calculating potential energy surfaces. P. W. Langhoff, J. A. Boatz, R. J. Hinde, J. A. Sheehy
5:00 — Concluding Remarks.
Section D
Unknown Site
Unknown Room
1:40 — 396. Intense-laser field dissociative ionization and its application to ultrafast chemical dynamics. W. Fub, W. E. Schmid, S. A. Trushin
2:20 — 397. Quantum coherence of molecules in intense laser fields. J. Cao
2:50 — 398. Polyatomic molecules in strong fields: Non-adiabatic multi-electron dynamics. A. Stolow, M. Lezius, V. Blanchet, M. Y. Ivanov
3:20 — Intermission.
3:50 — 399. Intense-field ionization of linear, cyclic, and aromatic hydrocarbons: Fragmentation, universality, and ionization efficiency studies using ToF-MS S. M. Hankin, D. M. Rayner, P. B. Corkum
4:20 — 400. The effects of molecular structure on strong field energy coupling of anthracene and anthraquinone. A. N. Markevitch, N. P. Moore, R. J. Levis
4:50 — 401. Extreme vibrational excitation using picosecond IR pulse trains: Classical-quantum correspondence. B. L. Gourley, R. B. Shirts