DIVISION OF PHYSICAL CHEMISTRY PHYS
Final Program, 224th ACS National Meeting, Boston, MA, August 18-22, 2002

J. C. Hemminger, Program Chair

SUNDAY MORNING

Section A
Convention Center -- Room 110

Ordered Molecular Assemblies of Nanoparticles
Superlattices

N. A. Kotov, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

8:20 - 1. Nanocrystal ordering in 2D. L. Brus

8:50 - 2. Inorganic nanorod liquid crystals. A. P. Alivisatos

9:20 - 3. Surface assembly dynamics of metal nanowires on patterned surfaces. T. E. Mallouk, S. K. St. Angelo, B. R. Martin

9:50 - 4. Liquid crystalline nanorod assemblies. C. J. Murphy

10:20 - Intermission.

10:35 - 5. Structure and Self-Assembly of Shape-Controlled Nanocrystals. Z. L. (. Wang

11:05 - 6. Formation of metal oxide - semiconductor binary superlattices. F. X. J. Redl, K. S. Cho, C. B. Murray

11:25 - 7. Crystalline Nanocluster Superlattices. P. Feng, N. Zheng, X. Bu, C. Wang

11:45 - 8. Electrical transport in quasi-3D nanoparticle assemblies. P. -. Trudeau, A. -. Dhirani

Section B
Convention Center -- Room 111

Chemical Studies Important in Astrobiology

T. Lee, Presiding

T. Lee and W. Huo, Organizer

8:35 - Introductory Remarks.

8:40 - 9. Astrobiology: From the Laboratory to Space. M. A. Meyer

9:20 - 10. Origin of polycyclic aromatic hydrocarbons in carbonaceous chondrites. R. N. Zare, F. L. Plows, J. E. Elsila, P. R. Buseck

10:00 - Intermission.

10:20 - 11. Origin of Organic Matter in Carbonaceous Chondrites. L. Becker

11:00 - 12. From interstellar polycyclic aromatic hydrocarbons to Astrobiology. D. M. Hudgins

11:40 - 13. Spectroscopic studies of N2-rich ices relevant to Triton and Pluto. R. F. Ferrante, R. L. Hudson, M. H. Moore

Section C
Convention Center -- Room 112

Mesoscale Phenomena in Fluid Systems
Characterizing Mesoscale Structure and Phenomena in Fluid Sustems I

Cosponsored with Division of Colloid and Surface Chemistry

F. H. Case, Presiding

F. H. Case, Organizer

8:10 - Introductory Remarks.

8:20 - 14. Small-angle scattering characterization of block copolymer micelles and lyotropic liquid crystals. P. Alexandridis

9:00 - 15. Structure and composition of mixed surfactants at interfaces and in solution. J. Penfold

9:40 - 16. Mesoscale structure of adsorbed liquid films in ordered nanoporous silica studied by in-situ SANS. G. H. Findenegg, A. Schreiber, E. Hoinkis

10:00 - Intermission.

10:20 - 17. X-ray scattering studies of long-chain n-alcohol monolayers at the water-hexane interface . M. L. Schlossman, A. M. Tikhonov

10:40 - 18. Cryo-TEM study of self-aggregation of sodium lithocholate single-molecular walled nanotubules. Y. Talmon, J. Schmidt, P. Terech

11:20 - 19. Self-assembly of amphiphilic substituted poly(para-phenylenes) in aqueous surfactant solutions. G. H. Findenegg, T. Fütterer, T. Hellweg, J. Frahn, A. D. Schlüter, C. Böttcher

Classical and quantum statistical mechanics studies of solvation
Quantum dynamics

Cosponsored with Division of Computers in Chemistry

P. J. Rossky, Presiding

L. X. Dang, B. C. Garrett, and G. K. Schenter, Organizer

New developments in force fields for molecular modeling
Organic and biomolecular force fields

Cosponsored with Division of Computers in Chemistry

T. A. Halgren, Organizer, Presiding

SUNDAY AFTERNOON

Section A
Convention Center -- Room 110

Ordered Molecular Assemblies of Nanoparticles
Interparticle Interactions

A. Eychmuller, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

1:20 - 20. Synthesis and photonics of colloidal bimetallic nanoparticles. A. Henglein, G. V. Hartland, J. H. Hodak

1:50 - 21. Shape Dependent Properties of Some Semiconductor and Metallic Nanocrystals. M. A. El-Sayed

2:20 - 22. Ligand effects on the luminescence of CdSe quantum dots. P. Mulvaney, C. Bullen

2:50 - 23. Coherent excitation of vibrational modes in metal nanoparticles and nanorods. G. V. Hartland

3:20 - Intermission.

3:35 - 24. Role of disorder on the electronic and transport properties of quantum dot artificial solids. F. Remacle

4:05 - 25. Possible Anderson and Mott transitions in dense nanocrystals assemblies. S. V. Gaponenko

4:35 - 26. Structure, energetics and transport in arrays of metallic quantum dots R. D. Levine

5:05 - 27. Modeling the extinction spectra of metal nanoparticle chains and arrays. G. C. Schatz, A. A. Lazarides, K. L. Kelly

Section B
Convention Center -- Room 111

Chemical Studies Important in Astrobiology II

L. Becker, Presiding

T. Lee and W. Huo, Organizer

1:40 - 28. Mars: Atmospheric Chemistry and Astrobiology. Y. L. Yung

2:20 - 29. Atmospheric aerosols as prebiotic chemical reactors. V. Vaida

3:00 - Intermission.

3:20 - 30. Prebiotic processing induced by comet and meteor impact. C. E. Dateo

4:00 - 31. Hydrocarbon hazes on early Earth: Experimental constraints on photochemical formation rates and optical properties. K. A. Boering, M. Ádámkovics

4:40 - 32. Meteoritic transition metals and properties of prebiotic atmospheric aerosols. D. K. Havey, V. Vaida

Section C
Convention Center -- Room 112

Applications of Neutron Scattering in Structural Biology and Biophysics
Structure and dynamics of biomembranes and related systems I

D. J. Tobias, Presiding

D. J. Tobias and M. Tarek, Organizer

1:35 -Introductory Remarks.

1:40 - 33. Light-driven proton pump bacteriorhodopsin as seen by neutrons. G. Bueldt

2:20 - 34. Structure-dynamics-function correlation in PM. R. E. Lechner, J. Fitter, T. Hauss, N. A. Dencher

3:00 - Intermission.

3:20 - 35. Determination of dynamic 3D structures of membranes from 1D data: Molecular Dynamics/Absolute Scale Refinement (MoDAS). S. H. White, K. Hristova, D. J. Tobias

4:00 - 36. Adsorption kinetics of phospholipid membranes to solid-liquid interfaces. Time-resolved neutron reflectivity studies T. Gutberlet, R. Steitz, G. Fragneto, B. Kloesgen

Section D
Convention Center -- Room 105

Mesoscale Phenomena in Fluid Systems
Characterizing Mesoscale Structure and Phenomena in Fluid Systems II

Cosponsored with Division of Colloid and Surface Chemistry

U. Nobbmann, Presiding

F. H. Case, Organizer

1:10 - Introductory Remarks.

1:20 - 37. Characterization down to nanometers: Light scattering from proteins & micelles. U. Nobbmann

2:00 - 38. Characterizing mesoscale structure and phenomena in fluids using NMR. P. Stilbs

2:40 - 39. Sculpting nano-scale liquid interfaces. R. C. Bell, H. Wang, M. J. Iedema, J. P. Cowin

3:00 - Intermission.

3:15 - 40. Aggregation, gelation and aging in colloidal suspensions - time-resolved light and neutron scattering experiments P. Schurtenberger, H. Bissig, R. Vavrin, A. Stradner, F. Scheffold, V. Trappe, L. Cipelletti

3:55 - 41. Aging phenomena in colloidal systems: Rheology, microrheology, and thermodynamics E. E. Pashkovski

4:35 - 42. Nanoscale vs macroscale friction in polymers and small-molecule liquids: Studies of anthracene rotation in poly(isobutylene) and poly(dimethylsiloxane). M. M. Somoza, M. I. Sluch, M. A. Berg

Classical and quantum statistical mechanics studies of solvation
Solvent dynamics and structure

Cosponsored with Division of Computers in Chemistry

G. A. Voth, Presiding

L. X. Dang, B. C. Garrett, and G. K. Schenter, Organizer

New developments in force fields for molecular modeling
Polarizable force fields

Cosponsored with Division of Computers in Chemistry

T. A. Halgren, Organizer, Presiding

MONDAY MORNING

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Tropospheric Chemistry - Global Issues

Cosponsored with Division of Environmental Chemistry

H. C. Allen and D. R. Worsnop, Presiding

H. C. Allen and D. Worsnop, Organizer

8:20 - 43. Global atmospheric oxidation chemistry: What are measurements telling us? W. Brune, H. Harder, M. Martinez, I. Faloona, D. Tan, J. B. Simpas, R. Lesher, L. Jeagle, D. Jacob, J. Crawford

9:00 - 44. Recent advances in the use of chemical transport models in atmospheric chemistry studies. G. R. Carmichael, I. Uno, Y. Tang, G. Kurata, D. Streets, J. Woo, J. Holdzkom

9:40 - 45. Found: The "Missing NOy". R. C. Cohen

10:00 - Intermission.

10:20 - 46. Satellite observations of tropospheric chemistry. D. J. Jacob, R. V. Martin, P. I. Palmer, D. B. Jones, C. L. Heald, K. V. Chance, K. Bowman, J. Worden, R. Hoffman

11:00 - 47. Molecular complexes: unconventional absorbers of solar radiation. V. Vaida

11:20 - 48. Atmospheric Chemistry of VOCs. R. Atkinson, J. Arey

Section B
Convention Center -- Room 111

Chemical Studies Important in Astrobiology III

V. Vaida, Presiding

T. Lee and W. Huo, Organizer

8:20 - 49. Chemical constraints on alternative life forms: How weird can life be? S. A. Benner

9:00 - 50. DNA-templated synthesis as a basis for molecular evolution. D. R. Liu, Z. J. Gartner, M. W. Kanan, C. T. Calderone

9:40 - 51. Peptides at membrane surfaces and their role in the origin of life. A. Pohorille, M. A. Wilson

10:20 - Intermission.

10:35 - 52. Catalysis in prebiotic chemistry: Steps towards the RNA world. J. P. Ferris, P. C. Joshi, K. Wang, S. Pitsch, G. Ertem

11:15 - 53. Radical anions of DNA base pairs and beyond. N. A. Richardson, S. Wesolowski, H. F. Schaefer III

Section C
Convention Center -- Room 110

Applications of Neutron Scattering in Structural Biology and Biophysics
High-resolution protein crystallography

J. L. Finney, Presiding

D. J. Tobias and M. Tarek, Organizer

8:40 - 54. Hydrogen and hydration in proteins. N. Niimura

9:20 - 55. Correlated protein dynamics at 1.1 Ĺ resolution by neutron diffraction M. M. Teeter

10:00 - Intermission.

10:20 - 56. Structural Biology with Spallation Neutrons. B. P. Schoenborn, P. Langan

11:00 - 57. Neutron crystallographic studies of detergent binding in single crystals of membrane proteins. P. A. Timmins

Section D
Convention Center -- Room 106

Mesoscale Phenomena in Fluid Systems
Predicting Mesoscale Structure and Phenomena in Fluid Systems I

Cosponsored with Division of Colloid and Surface Chemistry

F. H. Case, Presiding

F. H. Case, Organizer

8:30 - Introductory Remarks.

8:40 - 58. Dynamics of micro- (and nano-) fluidics: From basic concepts to applications. H. A. Stone

9:20 - 59. Modeling structure and rheological behavior in mesoscale fluid systems. P. Coveney

10:00 - Intermission.

10:20 - 60. Application of the dissipative particle dynamics simulation method to materials physics problems in polymer and surfactant science. M. G. Noro

11:00 - 61. Dynamics of intrinsically curved DNA fragments in gels. U. Mohanty

Classical and quantum statistical mechanics studies of solvation
Relaxation

Cosponsored with Division of Computers in Chemistry

S. Hammes-Schiffer, Presiding

L. X. Dang, B. C. Garrett, and G. K. Schenter, Organizer

New developments in force fields for molecular modeling
Inorganic and organometallic force fields

Cosponsored with Division of Computers in Chemistry

T. A. Halgren, Organizer, Presiding

MONDAY AFTERNOON

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Bio-Atmospheric Chemistry

Cosponsored with Division of Environmental Chemistry

U. Pöschl, Presiding

H. C. Allen and D. Worsnop, Organizer

1:20 - 62. Massindependent isotope effects and application in the atmospheres of Earth and Mars, from 3.8 billion years ago to present M. H. Thiemens

2:00 - 63. Space-based Observation of Atmospheric Carbon Dioxide. C. E. Miller

2:20 - 64. Studies of biogeochemical cycling of carbon and nitrogen in a forest environment, as part of PROPHET P. B. Shepson, M. A. Carroll, S. B. Bertman

3:00 - Intermission.

3:20 - 65. Chemical interactions between the atmosphere and forested ecosystems. A. H. Goldstein, D. R. Black, G. B. Dreyfus, M. R. Kurpius, A. Lee, M. M. Lunden, M. McKay, G. W. Schade

4:00 - 66. Experimental and Theoretical Investigation of the OH-Initiated Oxidation of Isoprene. S. W. North, R. Zhang

4:20 - 67. Reactive nitrogen at the plant-atmosphere interface. J. W. Munger

Section B
Convention Center -- Room 111

Chemical Studies Important in Astrobiology IV

E. Herbst, Presiding

T. Lee and W. Huo, Organizer

1:40 - 68. DIBs: Tracer of interstellar organic materials. F. Salama

2:20 - 69. Electronic structure calculations of the excited states of polycyclic aromatic hydrocarbons. M. Head-Gordon, J. Weisman, T. Lee

3:00 - Intermission.

3:20 - 70. Cosmic dust structure and chemistry: Conditions for heterocatalytically driven self-organization towards replicative proto-cells. J. Kissel, F. Krueger

4:00 - 71. Astrobiology - A Molecular Approach. R. I. Kaiser

4:40 - 72. Infrared spectra of hydrated magnesium salts and their role in the search for possible life conditions on Jupiter moons. G. M. Chaban, W. Huo, T. Lee

Section C
Convention Center -- Room 110

Applications of Neutron Scattering in Structural Biology and Biophysics
Protein and nucleic acid dynamics I

H. D. Middendorf, Presiding

D. J. Tobias and M. Tarek, Organizer

1:20 - 73. Probing the Dynamical Transition of Proteins: Surface-coupled and intramolecular motions. W. Doster

2:00 - 74. Slow Relaxation in DNA and Proteins: A Key to the Dynamic Transition. A. Sokolov

2:40 - 75. Dynamic behavior of several cytochrome c structural states. A. M. Pivovar, M. Tarek

3:20 - Intermission.

3:40 - 76. Role of conformational dynamics for thermal adaptation of proteins. J. Fitter

4:20 - 77. High Frequency Motions In Systems of Biological Interest. M. Johnson, M. Plazanet

Section D
Convention Center -- Room 106

Mesoscale Phenomena in Fluid Systems
Predicting Mesoscale Structure and Phenomena in Fluid Systems II

Cosponsored with Division of Colloid and Surface Chemistry

S. C. McGrother, Presiding

F. H. Case, Organizer

1:30 - Introductory Remarks.

1:40 - 78. Field theory in the computer: complex fluids. A. G. Moreira, G. H. Fredrickson

2:20 - 79. Simulation and theory of macromolecular self-assembly dynamics. A. Sevink, H. Fraaije

3:00 - Intermission.

3:20 - 80. Mesoscale modeling: industrial applications. S. C. McGrother, G. Goldbeck-Wood

4:00 - 81. Mesoscale Level Modeling of Siloxane-Based Nanoparticles and Nanocomposites. S. Grigoras

New developments in force fields for molecular modeling
Empirical force fields and chemical reactivity

Cosponsored with Division of Computers in Chemistry

P. Norrby, Organizer, Presiding

Classical and quantum statistical mechanics studies of solvation
Solute dynamics and reactions

Cosponsored with Division of Computers in Chemistry

B. M. Ladanyi, Presiding

L. X. Dang, G. K. Schenter, and B. Garrett, Organizer

MONDAY EVENING

Section A
Convention Center -- Hall B

Physical Chemistry Sci-Mix

J. C. Hemminger, Organizer

8:00 - 10:00

181-182, 184-185, 188, 190, 192-193, 195-196, 198, 200, 202, 204, 238, 243-244, 246, 248, 250, 252, 264, 266, 269, 273, 275, 277, 287-288, 293, 295, 297, 299, 301, 303, 305-306, 308, 310.
See subsequent listings.

TUESDAY MORNING

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Tropospheric Chemistry - Air Pollution

Cosponsored with Division of Environmental Chemistry

D. R. Worsnop, Presiding

H. C. Allen and D. Worsnop, Organizer

8:20 - 82. SAPHIR : Simulation of atmospheric photochemistry in a large reaction chamber: A novel instrument. A. Wahner

9:00 - 83. New regional air quality modeling systems for the western United States: formaldehyde and acetaldehyde formation. W. S. Goliff, W. R. Stockwell, D. Kim, D. Freeman, J. M. Lewis

9:20 - 84. Airborne observations of power plant, urban, and petrochemical emissions effects on tropospheric ozone photochemistry T. Ryerson

10:00 - Intermission.

10:20 - 85. Tropospheric volatile organic compounds. A. Hansel, A. Wisthaler

11:00 - 86. NO and NO2 emission ratios measured from in use commercial aircraft during taxi and take-off. S. C. Herndon, J. H. Shorter, M. S. Zahniser, D. D. Nelson, J. Wormhoudt, R. C. Miake-Lye, I. A. Waitz, P. Silva, T. Lanni, K. L. Demerjian, C. E. Kolb

11:20 - 87. Chemistry in the global troposphere: From climate to regional air quality. A. R. Ravishankara

Section B
Convention Center -- Room 111

Ordered Molecular Assemblies of Nanoparticles
Superlattices & Devices

N. A. Kotov, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

8:00 - 88. Semiconductor nanocrystals: from single dots to lasing dots. M. G. Bawendi

8:30 - 89. Magnetic nanocrystals and nanocrystal superlattices: Building with artificial atoms. C. B. Murray, S. Sun

9:00 - 90. Self-assembled magnetic nanoparticle arrays. S. Majetich

9:30 - 91. Mesoscopic nanostructures made of nanocrystals: Fabrication and collective properties. M. Pileni

10:00 - Intermission.

10:15 - 92. Award Address (ACS Award in Pure Chemistry, sponsored by Alpha Chi Sigma Fraternity). Nanoparticles and carbon nanotubes synthesis H. Dai

10:45 - 93. Integrated optoelectronics assembled from semiconductor nanowires. Y. Huang, X. Duan, C. M. Lieber

11:05 - 94. Preparation Of Luminescent Semiconductor Nanowires and Corresponding Thin Films. Z. Tang, N. A. Kotov, M. Giersig

11:25 - 95. PbSe nanocrystals, nanowires and superlattices K. Cho, W. L. Gaschler, C. B. Murray, K. L. Stokes

11:45 - 96. Dielectrophoretic manipulation and organization of micron- and nano-particles. A. Docoslis, P. Alexandridis

Section C
Convention Center -- Room 110

Chemical Studies Important in Astrobiology V

W. Klemperer, Presiding

T. Lee and W. Huo, Organizer

8:40 - 97. Chemistry in protoplanetary disks. E. Herbst

9:20 - 98. Laboratory studies of molecular synthesis on surfaces of interstellar dust grain analogues. G. Vidali, J. E. Roser, G. Manico', V. Pirronello, O. Biham

10:00 - Intermission.

10:20 - 99. Theoretical studies of the H+CO reaction. D. W. Schwenke

11:00 - 100. Is extraterrestrial life homochiral ? P. G. H. Sandars

11:40 - 101. Hydrogen Cyanide Polymers and Organic Free Radicals in Prebiotic and Extraterrestrial Chemistry. D. E. Budil, S. A. Liebmann, J. L. Roebber, C. N. Matthews

Section D
Convention Center -- Room 106

Mesoscale Phenomena in Fluid Systems
Predicting Mesoscale Structure and Phenomena in Fluid Systems III

Cosponsored with Division of Colloid and Surface Chemistry

F. H. Case, Presiding

F. H. Case, Organizer

8:20 - Introductory Remarks.

8:25 - 102. Self-assembled peptide tapes: theory and experiment on self-assembly, kinetics and rheology T. C. B. McLeish, A. Aggeli, P. Mawer, I. Nrykova, A. N. Semenov, M. Bell, N. Boden

9:05 - 103. How well can a simple molecular theory predict self-assembled microstructures in multicomponent systems involving surfactants, oil, water, alcohol, and electrolytes? R. Nagarajan

9:45 - Intermission.

10:05 - 104. Complementary use of simulations and free energy models for CTAB/NaSal Systems. A. McCormick

10:45 - 105. Monte Carlo simulation and theory of self-assembled networks. J. T. Kindt

11:25 - 106. Unstructured protein domains and polymer brush unteractions determine neurofilament organization in nerve axons. S. Kumar, J. H. Hoh, M. E. Paulaitis

New developments in force fields for molecular modeling
General force field development and applications

Cosponsored with Division of Computers in Chemistry

T. A. Halgren, Organizer, Presiding

TUESDAY AFTERNOON

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Stratospheric and Upper Tropospheric Chemistry

Cosponsored with Division of Environmental Chemistry

R. C. Cohen, Presiding

H. C. Allen and D. Worsnop, Organizer

1:20 - 107. Stratospheric photochemistry: I. Nitrogen and hydrogen free radicals P. O. Wennberg, R. J. Salawitch

2:00 - 108. Stratospheric Photochemistry: II. Halogens R. J. Salawitch, P. O. Wennberg

2:40 - 109. Ultraviolet photochemistry of bromoform at 234 nm and 267 nm by means of TOF-MS and velocity imaging. D. Xu, J. Huang, J. S. Francisco, W. M. Jackson

3:00 - Intermission.

3:20 - 110. Theoretical study of heterogeneous reactions on sulfate aerosols important for stratospheric ozone depletion. R. Bianco, J. T. Hynes

3:40 - 111. Laboratory studies of cirrus clouds. M. A. Tolbert, P. K. Hudson, J. Shilling

4:20 - 112. Cirrus Cloud Formation: The Effect of Mineral Dusts. H. Hung, A. Malinowski, S. T. Martin

4:40 - 113. Collisional removal of O2 (a1Δg, b1Σg+ and c1Σu-) molecules in highly vibrationally excited levels G. A. Amaral, K. S. Kalogerakis, E. R. Wouters, H. Oser, R. A. Copeland

Section B
Convention Center -- Room 111

Ordered Molecular Assemblies of Nanoparticles
Biological and Noncovalent Assemblies

A. Eychmuller, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

1:20 - 114. Synthesis, Self-Assembly and Bioconjugation of Nanoparticles H. Weller

1:50 - 115. Template directed assembly of bioniorganic nanostructures. C. A. Mirkin

2:20 - 116. Hiding the Ball-Developing nanoparticle surfaces for use in biological systems. M. Bruchez

2:50 - 117. DNA-directed assembly of metal nanowires at an aqueous/aqueous interface. C. D. Keating

3:20 - Intermission.

3:35 - 118. Biomolecular functionalization and organization of nanoparticles. C. M. Niemeyer

4:05 - 119. Supramolecular self-assembled fullerene nanostructures made to order. D. M. Guldi, V. Georgakilas, F. Pellarini, M. Prato, M. Melle-Franco, F. Zerbetto

4:25 - 120. Nanoparticle Assembly via Organosulfur Capping Molecules. C. Zhong, L. Han, M. M. Maye, N. Kariuki, J. Luo

4:45 - 121. Biomolecular recognition elements for nanoparticle assembly. D. W. Wright, J. M. Slocik, M. R. Knecht

5:05 - 122. Antigen/antibody immunocomplex from CdTe nanoparticle bioconjugates. S. Wang, N. N. Mamedova, N. A. Kotov

Section C
Convention Center -- Room 110

Applications of Neutron Scattering in Structural Biology and Biophysics
Structure and dynamics of biomembranes and related systems II

S. H. White, Presiding

D. J. Tobias and M. Tarek, Organizer

1:40 - 123. Neutron Interferometry of Vectorially-Oriented Single Monolayers of Membrane Proteins & Their Artificial Synthetic Maquettes. J. K. Blasie, L. R. Kneller, C. F. Majkrzak

2:20 - 124. Thermal neutron holography, small-angle neutron scattering and biomaterials J. Katsaras

3:00 - Intermission.

3:20 - 125. Microscopic views on the structure of lipid surface monolayers: the quest for surface-sensitive neutron scattering experiments. M. Loesche

4:00 - 126. Collective dynamics in lipid bilayers studied by inelastic x-ray scattering. S. Chen

Section D
Convention Center -- Room 106

Mesoscale Phenomena in Fluid Systems
Applications: why we care about mesoscale phenomena, and how we control it

Cosponsored with Division of Colloid and Surface Chemistry

C. U. Thomas, Presiding

F. H. Case, Organizer

1:30 - Introductory Remarks.

1:40 - 127. Structure, properties, and applications of mesoscale materials D. A. Weitz

2:20 - 128. The importance of mesoscopic structures in the development of advanced materials. C. U. Thomas, G. Caldwell, S. Mohanty, M. Freedman

3:00 - Intermission.

3:20 - 129. Impact of micellar strucure on rheology and performance in superwetting cleaners. G. Broze

4:00 - 130. Self assembly of small molecules and macromolecules in compressible liquid and supercritical CO2. J. M. DeSimone, S. L. Folk, J. D. Polley, M. Adam, M. Rubinstein, P. Andre, J. S. Keiper

4:40 - 131. Emulsions or microemulsions? Phase diagrams and their importance for optimal formulations I. Johansson, O. B. Ho

Nonlinear Dynamics in Polymeric Systems
Session I

Cosponsored with Division of Polymer Chemistry

J. A. Pojman, Organizer, Presiding

Q. Tran-Cong, Organizer

Classical and quantum statistical mechanics studies of solvation
Interfaces

Cosponsored with Division of Computers in Chemistry

L. X. Dang, Organizer, Presiding

L. X. Dang, G. K. Schenter, and B. Garrett, Organizer

TUESDAY EVENING

Joint POLY/PMSE Poster Session
Nonlinear Dynamics in Polymeric Systems

Cosponsored with Division of Polymer Chemistry

J. A. Pojman and Q. Tran-Cong, Organizer

6:00 - 8:00

WEDNESDAY MORNING

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Atmospheric Chemistry - Kinetics

Cosponsored with Division of Environmental Chemistry

V. H. Grassian, Presiding

H. C. Allen and D. Worsnop, Organizer

8:20 - 132. Volatile organic compounds in atmospheric processes: Oxidation pathways, nucleation phenomena, and urban tropospheric ozone generation C. M. Hadad

9:00 - 133. Reactions of OH + NO2: Direct observation of the HOONO channel. M. Okumura, B. D. Bean, S. Nizkorodov, A. K. Mollner, J. S. Francisco, S. P. Sander

9:20 - 134. Atmospheric chemistry of HCN. P. H. Wine, R. S. Strekowski, J. M. Nicovich, M. L. McKee, G. Chen, D. D. Davis

10:00 - Intermission.

10:20 - 135. IR Spectroscopy and Kinetics of Alkyl Peroxy Radicals. S. L. Nickolaisen, D. Mah, H. Nation, M. Ramos, K. Wardlaw

10:40 - 136. Constraints on the gas phase ozonolysis mechanism. N. M. Donahue, J. Kroll

11:00 - 137. A master equation model for alkyl nitrate yields from the reaction of alkyl peroxy radicals with NO2. J. R. Barker, L. L. Lohr, R. M. Shroll, S. Reading

11:40 - 138. Reaction of SO2 with carbon clusters at ambient temperature: An odd-even effect. W. T. Wallace, A. J. Leavitt, F. A. Khan, R. L. Whetten

Section B
Convention Center -- Room 111

Ordered Molecular Assemblies of Nanoparticles
Layered Assemblies

N. A. Kotov, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

8:10 - 139. Optical devices based on semiconductor nanocrystals. U. Banin

8:40 - 140. Layered thin film assemblies of nanoparticles. N. A. Kotov

9:10 - 141. Gold-nanoparticle/dendrimer composite films: Preparation, characterization, and chemical sensitivity T. Vossmeyer, N. Krasteva, I. Besnard, B. Guse, R. E. Bauer, K. Müllen, A. Yasuda

9:40 - 142. New ways of controlling the formation of DNA based gold nanostructures. M. Brust, A. Kanaras, Y. Liu, A. Bates, R. Cosstick, C. J. Kiely

10:00 - Intermission.

10:20 - 143. Multilayer structures of polyelectrolytes and nanoparticles based on layer-by-layer assembly and Langmuir Blodgett deposition. G. M. Lowman, M. Berrettini, G. Khitrov, A. Javier, G. F. Strouse, S. K. Buratto

10:40 - 144. Novel Dissymmetric Nanocrystal Architecture. L. Nagle, D. Ryan, S. Cobbe, D. Fitzmaurice

11:00 - 145. Formation and Electrochemical Properties of Multilayers of Au Nanoclusters Covered by Self-Assembled Monolayers Containing Ferrocene and Carboxylate Groups on Au and ITO. M. Okamura, W. Song, T. Kondo, K. Uosaki

11:20 - 146. Aqueous chemical growth of three-dimensional arrays of metal oxide nanomaterials. L. Vayssieres

Section C
Convention Center -- Room 110

Applications of Neutron Scattering in Structural Biology and Biophysics
Structural and dynamical aspects of biomolecular hydration

W. Doster, Presiding

D. J. Tobias and M. Tarek, Organizer

8:40 - 147. Simulation, neutron, and x-ray scattering experiments for pure liquid water T. Head-Gordon, G. L. B. Hura, R. M. Glaeser, D. Russo

9:20 - 148. How does protein affect water? J. C. Smith, F. Merzel

10:00 - Intermission.

10:20 - 149. What really drives the hydrophobic interaction? J. L. Finney, D. T. Bowron, A. K. Soper, S. S. Dixit

11:00 - 150. Hydration water dynamics of an hydrophobic small oligo-peptide. D. Russo, P. Baglioni, E. Peroni, J. Teixeira

Section D
Convention Center -- Room 106

Biologically Relevant Molecules in the Gas Phase I

M. DeVries, Presiding

M. DeVries and E. R. Williams, Organizer

8:15 - 151. Photoionization dynamics of small biological olecules. R. B. Gerber

8:50 - 152. High resolution rotational spectroscopy and conformational structures of biomolecules and biomolecule-water complexes. M. J. Tubergen, R. J. Lavrich

9:25 - 153. Modeling biological size-selective interactions using clusters. J. M. Lisy

10:00 - Intermission.

10:35 - 154. Anion photoelectron spectroscopic studies of biologically-relevant molecules in the gas phase. K. H. Bowen Jr.

11:10 - 155. Zwitterion Stability and the Role of Sovent. E. R. Williams, R. A. Jockusch, A. S. Lemoff

Classical and quantum statistical mechanics studies of solvation
Electronic structure

Cosponsored with Division of Computers in Chemistry

G. K. Schenter, Presiding

L. X. Dang, G. K. Schenter, and B. Garrett, Organizer

Nonlinear Dynamics in Polymeric Systems

Cosponsored with Division of Polymer Chemistry

M. L. Turco Liveri, Presiding

Q. Tran-Cong-Miyata and J. A. Pojman, Organizer

WEDNESDAY AFTERNOON

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Atmospheric Aerosol Chemistry I

Cosponsored with Division of Environmental Chemistry

H. C. Allen, Presiding

H. C. Allen and D. Worsnop, Organizer

1:20 - 156. Surface chemistry of atmospheric aerosols. M. J. Molina

2:00 - 157. Carbonaceous aerosol components: Chemical composition and reactivity. U. Pöschl

2:40 - 158. Role of chemiions in the formation of nanoparticles in motor vehicle exhaust. F. Yu

3:00 - Intermission.

3:20 - 159. Surface chemistry of size-selected soot nano-aerosol particles. K. J. Higgins, H. Jung, B. Eggimann, A. Wensmann, D. B. Kittelson, M. R. Zachariah, J. T. Roberts

4:00 - 160. Chemical and biological reactivity of respirable particulates. P. Dutta, M. Williams, W. J. Waldman, R. Kristovich, J. Long, E. Fach

4:20 - 161. Aerosols from the World Trade Center Collapse Site. T. A. Cahill, S. S. Cliff, J. F. Shackelford, P. B. Kelly, G. Bench, K. D. Perry

Section B
Convention Center -- Room 111

Ordered Molecular Assemblies of Nanoparticles
Templated Assemblies

A. Eychmuller, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

1:20 - 162. Synthetic opals based on silica-coated gold nanoparticles. L. M. Liz-Marzán, V.

Salgueirińo-Maceira, F. García-Santamaría, B. Rodríguez-González

1:50 - 163. Quantum dot photonic crystals. D. J. Norris

2:20 - 164. 1 and 2 dimensional assembling of nanosized particles using colloidal methods. H. Hofmann

2:50 - 165. Superstructures of colloidally synthesized nanocrystals. A. L. Rogach

3:10 - Intermission.

3:25 - 166. Metal nanowires by electrochemical step-edge decoration. R. M. Penner, M. P. Zach, E. Walter, B. Murray

3:55 - 167. Using Light to Order Molecular Assemblies of Nanopaticles. D. Fitzmaurice, D. Ryan, L. Nagle

4:25 - 168. Ordered Hybrid Organic/Q-Particle composites. M. Lahav, E. Lifshitz

4:55 - 169. Nanowires of PbSe and CdS. E. Lifshitz

5:25 - 170. Self-directed growth and assembly of metal and metal oxide nanostructures on gold templates. A. S. Y. Chan, L. N. Rodriguez, B. Richter, C. M. Friend

Section C
Convention Center -- Room 110

Applications of Neutron Scattering in Structural Biology and Biophysics
Structure and association of biomolecules in solution

S. Chen, Presiding

D. J. Tobias and M. Tarek, Organizer

1:40 - 171. Structure and function of biological macromolecules in solution: SANS experimental methods. S. Krueger

2:20 - 172. Structure and Function of Biological Macromolecules in Solution: SANS Data Analysis and Modeling Methods. S. K. Gregurick

3:00 - Intermission.

3:20 - 173. Structure analysis of biological macromolecules with small and medium angle X-ray and neutron scattering. D. I. Svergun

4:00 - 174. Effects of guanidine hydrochloride on the structure and properties of beta-casein in solution and at interface with air. A. Aschi

Section D
Convention Center -- Room 106

Biologically Relevant Molecules in the Gas Phase IIstyle='font-family: "Times

J. S. Klassen, Presiding

M. DeVries and E. R. Williams, Organizer

1:50 - 175. Solvent free conformations of polypeptides and DNA oligomers. M. T. Bowers

2:25 - 176. Exploring the Energy Landscape of Unsolvated Peptides. M. F. Jarrold, B. S. Kinnear, D. T. Kaleta, M. Kohtani, M. Hartings, G. Breaux

3:00 - Intermission.

3:30 - 177. De novo design of biomimetic reagents to selectively bind to and react with peptides in the gas phase. J. L. Beauchamp, R. Julian, J. May, B. Stoltz

4:05 - 178. Determination of oligosaccharide diversity by mass spectrometry. C. B. Lebrilla, Y. Xie

Classical and quantum statistical mechanics studies of solvation
Direct dynamics

Cosponsored with Division of Computers in Chemistry

D. A. Dixon, Presiding

L. X. Dang, G. K. Schenter, and B. Garrett, Organizer

Nonlinear Dynamics in Polymeric Systems

Cosponsored with Division of Polymer Chemistry

T. Yamaguchi, Presiding

J. A. Pojman and Q. Tran-Cong-Miyata, Organizer

WEDNESDAY EVENING

Section A
Convention Center -- Hall B

Physical Chemistry Poster Session

J. C. Hemminger, Organizer

7:30 - 10:00

FRONTIERS OF ATMOSPHERIC CHEMISTRY.

179. Atmospheric gases caught by organic films: A molecular dynamics simulation study. O. L. Ma, D. J. Tobias

180. Characterization of Motor Vehicle and Aircraft Particle Emissions by an Aerosol Mass Spectrometer. M. R. Canagaratna, J. T. Jayne, H. Boudries, A. Ghertner, S. C. Herndon, J. H. Shorter, Q. Shi, M. S. Zahniser, C. E. Kolb, P. Silva, T. Lanni, F. Drewnick, K. L. Demerjian, D. R. Worsnop

181. Automated chemical mechanism generation: Including pressure-dependent rates. D. M. Matheu, W. H. Green Jr., J. M. Grenda

182. Computational investigations of the aerosol surface reactivity of NO2, HNOx, water and alkenes: Adsorbed N2O4 as a critical intermediate J. B. Miller

183. Comparison of the carbon kinetic isotope effects for the reactions of alkenes with OH radicals and ozone.

R. Iannone, R. S. Anderson, E. Czuba, J. Rudolph, L. Huang, D. Ernst

184. Fate of the Hydroxyalkoxy Radical in the OH-initiated Oxidation of Isoprene. J. Park, M. D. Wilson, R. Zhang, S. W. North

185. Heterogeneous tropospheric chemistry on mineral dust particles. M. C. Foster

186. Comparison of the carbon kinetic isotope effects for the reactions of non-methane hydrocarbon (NMHC) with OH radicals and Cl atoms. R. S. Anderson, J. Rudolph, A. E. Thompson, R. Iannone, L. Huang, D. Ernst

187. FTIR spectroscopy and Raman spectroscopy study of NONO3. Y. Song, R. Hemley, H. Mao, D. Herschbach

188. Laser-induced fluorescence spectra of cyclohexoxy radical and kinetics of its reactions. L. Zhang, W. Deng, T. S. Dibble

189. Guided-ion beam studies of reactions between O+ and small alkanes. D. J. Levandier, J. S. Miller, Y. Chiu, R. A. Dressler

190. Measurement of alkoxy radical isomerization rates. B. D. Bean, A. K. Mollner, P. Choi, E. R. Garland, C. Morrell, S. P. Sander, M. Okumura

191. Infrared spectra of matrix-isolated polycyclic aromatic hydrocarbons and their ions: PAHs incorporating the peropyrene structure. A. L. Mattioda, D. M. Hudgins, C. Bauschlicher, L. J. Allamandola

192. Mobile laboratory for realtime measurements of urban and regional trace gas and particulate distributions and emission source characterization. C. E. Kolb, S. C. Herndon, J. B. McManus, J. H. Shorter, M. S. Zahniser, D. D. Nelson, M. R. Canagaratna, J. T. Jayne, D. R. Worsnop

193. Nonlinear spectroscopy and surface tension studies of aqueous sulfuric acid solutions. J. P. Schlegel, J. B. Gilman, E. C. Coogan, H. C. Allen

194. Mass spectrometric analysis of aerosol particulates from the world trade center. J. I. Selco, S. G. Riddle, P. B. Kelly, T. A. Cahill

195. Ozone photochemistry in the Hartley band : Determination of the quantum yield for singlet oxygen atom production. K. Takahashi, Y. Matsumi, N. Taniguchi, S. Hayashida

196. Photodissociation Studies of Halogen-Containing Species: Quantum Yields and Energy Partitioning. P. Zou, W. S. McGivern, J. Park, H. Kim, B. A. Schmitz, T. Nguyen, J. Shu, S. W. North

197. Organic emissions and aerosol formation in aircraft wakes. R. C. Brown, R. C. Miake-Lye, C. E. Kolb, S. Lukachko, I. Waitz, H. Sookhyun, C. K. Yam

198. Picosecond infrared laser desorption of biomolecules from ice. K. E. Schriver, M. L. Baltz-Knorr, R. F. Haglund Jr.

199. Photodissociation of OClO in the bulk and at the surface of liquids. I. Chorny, J. S. Vieceli, I. Benjamin

200. Temperature dependent electron and anion chemistry of the super greenhouse gas SF5CF3. S. Arnold, T. M. Miller, A. Viggiano, W. B. Knighton, C. A. Mayhew

201. Knudsen cell studies of the reactions of gaseous nitrogen oxides with NaCl and synthetic sea salt: Single and sub- particle layer approach. R. C. Hoffman, B. J. Finlayson-Pitts

202. Theoretical investigation of two reaction mechanism for the gas-phase system NO + O3 ® NO2 + O2. E. Vayner, D. W. Ball

203. Radiolytic production and thermal decomposition of hydrogen peroxide. J. A. LaVerne, A. Hiroki

204. Theoretical Treatment of the Reaction of Isoprene Hydroperoxy Radicals with NO: Nitrate Yields and the Fate of Activated Alkoxy Radicals. J. Park, W. S. McGivern, D. Zhang, R. Zhang, S. W. North

205. Numerical analysis on gas-phase diffusion resistance in the droplet train apparatus. A. Morita, M. Sugiyama, S. Koda

206. Symmetry breaking and vibrational spectrum of nitrate in aqueous clusters: a QM-MM study. M. C. Gonzalez Lebrero, A. Roitberg, D. A. Estrin

207. Temperature-dependent kinetics studies of aqueous phase reactions of hydroxyl and sulfate radicals with the important atmospheric sulfur species dimethylsulfoxide, dimethylsulfone, and methanesulfonate L. Zhu, J. M. Nicovich, P. H. Wine

208. Water uptake by H2SO4-activated soot aerosols. J. G. Slowik, J. W. Morris, P. Davidovits, L. R. Williams, J. T. Jayne, C. E. Kolb, D. R. Worsnop

209. Reaction kinetics of peroxy radicals. L. E. Christensen, M. Okumura, S. P. Sander

210. Pressure Dependence in the Photodissociation of Chlorine Nitrate? S. L. Nickolaisen, M. Moroz

211. Application of tunable diode laser absorption spectroscopy using the 1740 cm-1 band to measure formaldehyde. S. C. Herndon, L. R. Brown, D. D. Nelson, M. S. Zahniser

212. Stable carbon isotope composition of ethane and benzene: A means to determine average photochemical age. A. E. Thompson, J. Rudolph, R. S. Anderson, L. Huang, F. Rohrer, O. Stein

213. Carbon kinetic isotope effects for the reactions of atmospheric NMHC with OH, Cl and O3 R. S. Anderson, R. Iannone, J. Rudolph, A. E. Thompson, L. Huang, D. Ernst

214. Ab initio calculations of dynamics of small hydrocarbon radicals. M. Shahu, C. D. Pibel

215. Characterization of in-use vehicle emissions in dense urban environments. J. H. Shorter, S. C. Herndon, M. S. Zahniser, D. D. Nelson, J. B. McManus, J. Wormhoudt, J. T. Jayne, M. R. Canagaratna, C. E. Kolb

216. Altitudevariations of cosmic ray induced production of atmospheric aerosols. F. Yu

217. Chemical reactivity of the ice surface. C. Pursell

218. Photolysis of nitrate on ice. C. Anastasio, L. Chu

219. Tropospheric VOC measurements by PTR-MS. A. Wisthaler, M. Graus, W. Grabmer, A. Hansel

220. Deposition of particulate species measured by eddy-correlation mass spectrometry. J. O. Allen, C. A. Tyree, J. Jimenez, K. A. Smith, M. R. Canagaratna, J. T. Jayne, D. R. Worsnop

221. Uptake of organic and hydrogen halide gas phase species by 1-octanol droplets. H. Zhang, Y. Li, P. Davidovits, D. R. Worsnop, J. T. Jayne, C. E. Kolb

222. Detailed analysis of the kinetics and products of the reaction of ozone with condensed phase oleic acid. T. D. Thornberry, J. P. D. Abbatt

223. SPM levels of an urban area (Patiala City) and its relation to automobile exhaust. S. K. Mittal, S. Goyal

224. Is there a reaction between HNO3 adsorbed on silica surfaces and gaseous CO, CH4, SO2 and NO? A. M. Rivera-Figueroa, B. J. Finlayson-Pitts

225. Models for secondary ammonium nitrate aerosol formation. W. R. Stockwell, J. G. Watson

226. Laboratory investigations of the collisional removal of O2(X 3Sg-, u = 1, 2, and 3) K. S. Kalogerakis, R. A. Copeland, T. G. Slanger

227. Gas-phase alkene ozonolysis: Formation of OH from anti carbonyl oxides. J. H. Kroll, V. J. Cee, N. M. Donahue, K. L. Demerjian, J. G. Anderson

228. Optical characterization of model tropospheric organic aerosols. A. M. Potscavage, R. F. Niedziela

229. Comprehensive Field Observations of Sea Salt Chemistry Over Houston/Galveston Area. A. Laskin, C. M. Berkowitz, J. P. Cowin, D. J. Gaspar, M. J. Iedema, C. W. Spicer

230. Oxygenated organics in urban aerosols. H. Destaillats, R. S. Spaulding, C. Jakober, M. J. Charles

231. Collisions of atmospheric gases with organic surfactants on sulfuric acid solutions. J. R. Lawrence, G. M. Nathanson

232. Thermodynamic measurements of H2SO4/H2O molecular cluster ions. K. D. Froyd, E. R. Lovejoy

233. Growth and coagulation of sulfuric acid aerosols; a laboratory and modeling study. J. W. Morris, J. G. Slowik, P. Davidovits, J. T. Jayne, C. E. Kolb, D. R. Worsnop, D. D. Obrigkeit, G. J. McRae

234. Studies of the HSO4-(H2SO4)xSO3 cluster ions: Kinetics, thermodynamics, and ab initio calculations S. Rosén, E. R. Lovejoy, K. D. Froyd, J. Curtius

235. Ab initio molecular dynamics study of halide water clusters. Q. H. Nguyen, I. W. Kuo, D. J. Tobias

ORDERED MOLECULAR ASSEMBLIES OF NANOPARTICLES.

236. Which 1,3-dipoles can be attached onto the sidewalls of single-wall carbon nanotubes by 1,3-dipolar cycloadditions? X. Lu, F. Tian, X. Xu, N. Wang, Q. Zhang

237. Anti-stokes photoluminescence of II-VI nanoparticles. B. Ozturk, N. A. Kotov

238. Chalcogen site surface modification of semiconductor nanoparticles: Optical and electronic effects for CdSe and In2S3 nanocolloids. D. K. Nagesha, N. A. Kotov

239. Light-induced micropatterning of CdSe/CdS nanoparticle thin films. Y. Wang, Z. Tang, N. A. Kotov

240. HREM structural analysis on Molybdenum Sulfides nanophases catalysts. X. Sun, Y. Wang, D. E. NIkles

241. Anticancer activity of Au nanoparticle-antibody bioconjugates. A. Copland, N. N. Mamedova, A. Oraevsky, M. Motamedi, N. A. Kotov

242. Electric and Optical Properties of Carbon Nanotubes. G. Chen

243. DNA controlled assembly of protein modified gold nanocrystals. S. Cobbe, D. Fitzmaurice

244. Electron transfer across tripodal sensitizers-semiconductor nanoparticles interfaces. Q. Wei, W. Zhang, E. Galoppini, P. Hoertz, G. J. Meyer

245. Gold Nanoparticle Crystals Grown at an Air/Water Interface. H. Yao, S. Sato, K. Kimura

246. Layer-by-layer assembled planar gold nanoparticles. L. M. Liz-Marzán, I. Pastoriza-Santos, N. A. Kotov, N. Malikova

247. Preparation and photoluminescence characterization of silica- and silicon-based nanoparticles, nanowires, and mesoporous materials Y. Chen

248. Novel characterization techniques for recent nanocrystal molecules. C. M. Micheel, Y. Jun, S. C. Williams, S. L. Goh, D. Zanchet, W. J. Parak, D. Gerion, T. Pellegrino, A. P. Alivisatos

249. Morphology and Polar Order in Self-Assembled Thin Films of Overcrowded Arenes. T. Nguyen, C. Nuckolls, L. Brus

250. Rigid-rod chromophores for functionalization of semiconductor nanoparticles. D. Wang, E. Galoppini, P. Piotrowiak

251. Properties of organic dyes encapsulated within liposome-templated silicate nano-shells. I. A. Banerjee, A. E. Ostafin

252. Self-Organization of Au Nanoparticles Modified with Mercaptocarboxylic Acids. C. Su, P. Wu, C. Yeh

253. Protein-CdTe nanoparticle bioconjugates: preparation, structure, and resonance energy transfer N. N. Mamedova, S. Wang, N. A. Kotov

254. Spectroscopy, dynamics, and electron transfer in GaSe nanoparticles V. Chikan, D. F. Kelley

255. Nanotubes by wetting of ordered porous templates. M. Steinhart, J. H. Wendorff, R. B. Wehrspohn

256. Sidewall functionalization of single-wall carbon nanotubes by Diels-Alder cycloaddition: Aromaticity makes it viable. X. Lu, F. Tian, N. Wang, Q. Zhang

257. Sidewall oxidation and complexation of carbon nanotubes by base-catalyzed addition of transition metal oxide: a theoretical prediction. X. Lu, F. Tian, N. Wang, X. Xu, Q. Zhang

258. Robust and elastic films from multilayered polymer-nanoparticle composites. V. Tsukruk, M. Ornatska, S. Markutsya, S. Peleshanko

259. Site specific nucleation of metal nanoclusters on S(4x4)/W(111). Q. Wu, W. Chen, H. Wang, T. E. Madey

260. Synthesis and characterization of Copper Indium Sulfide Nanoparticles. X. Liang, N. A. Kotov

261. Synthesis of ZnO nanoparticles from spontaneous alkaline hydrolysis of zinc carboxylate salts in polar organic media. D. Diaz, R. Geonel, A. Vázquez-Olmos, J. Nemeth, I. Dékany

NEUTRON SCATTERING AND BIOPHYSICAL CHEMISTRY.

262. Small Angle Neutron Scattering Studies of PNA & DNA Systems. J. Zhou, A. Deyhim, S. Krueger, S. Gregurick

263. A local friction model for large ion transport in ordered bilayer membranes. M. E. Starzak

264. Probing protein folding dynamics via fluorescence-energy-transfer kinetics. S. K. Sharma, J. R. Winkler, H. B. Gray

265. Difference of dynamics between folded and unfolded protein studied by elastic incoherent neutron scattering. H. Nakagawa, H. Kamikubo, J. C. Smith, M. Kataoka

266. Sequence Determination of the Acrylonitrile/Styrene/Glycidyl methacrylate Terpolymers by One and Two Dimensional NMR Spectroscopy. D. R. Pradhan, A. S. Brar

267. Neutron Elastic Resolution Spectroscopy: A New Method to Study Molecular Motions in Small Samples. W. Doster

268. Fluorescence quenching, mass spectral H/D exchange and ion fragmentation studies of

Trp-His-Trp-Leu-Gln-Leu upon metal-complexation E. Arehart, A. Fattahi, H. Patterson, T. Solouki

269. Laser-induced Alloying Au-Pd and Ag-Pd Colloidal Mixtures: The Formation of Dispersed Au/Pd and Ag/Pd Nanoparticles. Y. Chen, C. Yeh

270. Identification of different conformers of a neuropeptide and study of its metal-induced conformational variations using gas phase H/D exchange. A. Fattahi, T. Solouki

COMPUTATIONAL CHEMISTRY.

271. Basis sets in electron correlation methods: function reduction and convergence. K. Lennox, X. Wang, A. Lowe, A. K. Wilson

272. Calculating free energy profiles using adiabatic molecular dynamics. L. Rosso, M. E. Tuckerman

273. Deviations from the Boltzmann distribution for small, microcanonical systems: Two new approximate distributions R. B. Shirts, M. R. Shirts

274. Ab initio and quantum Monte Carlo studies of Al+(H2)n clusters (n=1, 2) R. J. Hinde

275. Investigation of the methanol/water interface with polarizable potentials : A molecular dynamics study. T. Chang

276. Damped Bohm dynamics method for finding stationary states of quantum systems. J. R. Smaby, F. G. Amar

277. A comparative DFT study of the CO2-H2O gas phase dimer. G. L. Warren Jr., R. J. Hinde

278. Density functional theory of alkali metal-noble metal diatomic molecules. G. S. M. Tong, A. S. Cheung

279. Structure and energetics of [B, C, F, H3]+: Quantum chemistry shows multiple minima C. A. Deakyne, L. Li, J. F. Liebman

280. Time-Sliced Semiclassical method. Y. Wu, V. Batista

GENERAL PHYSICAL CHEMISTRY.

281. Second harmonic study of pH sensitive dyes at the water-air interface. P. B. Petersen, J. C. Johnson, R. D. Schaller, R. J. Saykally

282. Semiempirical calculations of optical properties of complete B850 and B800 in Light Harvesting Systems II. G. Chen, A. Ng

283. Simulation of structure, stability, and electron diffraction patterns of mixed nitrogen-argon clusters J. Hewage, F. G. Amar

284. Stable points of the potential energy surfaces of some noble gas dihalides: Linear covalent molecules and van der Waals complexes. G. J. Hoffman, M. Colletto, J. R. Ysique, D. L. Biermann

285. Structure and orientational order of molecular cryocrystal deposited particles. A. A. Solodovnik, V. V. Danchuk, M. A. Strzhemechny

286. Theoretical calculations of electric field distribution in T4 lysozyme: Identifying active sites by high field EPR spectroscopy of nitroxide spin-labels. R. Satyamurti, M. J. Ondrechen, D. E. Budil

287. Air plasma ion reactions with cycloalkanes from 298-700 K. A. J. Midey Jr., S. Williams, R. A. Morris, A. A. Viggiano

288. An XPS and SEM Study of an Efficient, Copper-doped Photovoltaic Cell C. C. Chusuei, K. L. Barth, R. A. Enzenroth, W. S. Sampath

289. Theoretical characterization of the long-range attraction between G-actin molecules through the excluded volume effect. M. Irisa

290. Theoretical studies of Green Fluorescent Protein chromophore. V. Glezakou, J. A. Boatz, P. R. Taylor, J. A. McCammon, P. W. Langhoff

291. Time-resolved and steady-state fluorescence analyses and DSC studies of chlorophyll a in DPPC vesicles. M. Takezaki, T. Tominaga, K. Yamane, M. Kodama

292. Time-resolved resonance Raman spectroscopy investigation of 2-fluorenylnitrene and its dehydroazepine products. S. Y. Ong, P. Zhu, Y. F. Poon, K. H. Leung, W. Fang, D. L. Phillips

293. Computational studies of helium metal hydride complexes. B. K. Taylor

294. Transient Resonance Raman and Density Functional Theory Investigation of Arylnitrenium Ions. P. Zhu, S. Y. Ong, D. L. Phillips, K. H. Leung

295. Hydrogen delocalization in small cyclic water clusters. M. Mandziuk

296. Transient resonance Raman spectroscopic study of 4-iminocyclohexa-2,5-dienylidene and 4-oxocyclohexa-2,5-dienylidene carbenes in aqueous solution W. S. Chan, K. H. Leung, S. Y. Ong, D. L. Phillips

297. Intermolecular dynamics of liquid crystals: femtosecond optical kerr effect measurements. B. Hyun, E. L. Quitevis

298. Translational diffusion and EPR line shape studies of a vanadium complex with acetone Schiff base in toluene. J. S. Hwang, M. O. Hamad

299. Microwave Spectrum and Conformations of 5-Hexynenitrile. K. A. Atticks, R. K. Bohn, H. H. Michels

300. Two-dimensional Raman spectrum of a solution: CS2 in liquid Xe. A. Ma, R. M. Stratt

301. Role of bath in impulsive collisional quenching of hot molecules. Z. Li, A. S. Mullin

302. Visible spectroscopy of the vinyl radical and excited state dynamics. M. Shahu, C. Yang, C. D. Pibel, A. McIlroy, C. A. Taatjes, J. B. Halpern

303. Role of Hydrogen Bonding in the ground and Excited-State Intramolecular Proton Transfer in

6,7,8-Trimethyl- [2,3-b]-(4-amino-5-Benzoylthiopyridine I. A. Al-Ansari

304. Pressure Denaturation of Myoglobin: A Dynamic View. W. Doster

305. SO2-·H2O: The first example of symmetric hydrogen bonding of water to an anionic species. E. A. Woronowicz, G. H. Weddle, M. A. Johnson

306. Spectroscopic Investigations of Conductive Polyanilines. D. Kumar, A. S. Brar

307. Influence of Different Halide Ions and the pH on the J-band in the Spectra of Water Solutions of PIC Iodide. I. A. Struganova, M. Hazell, J. Gaitor

308. Ultrafast, low frequency solvation dynamics of condensed phase systems using a novel resonant-pump, third-order Raman probe technique D. F. Underwood, D. A. Blank

309. A general representation of entropy for different systems. P. Love

310. Watching a molecule rearrange: The CuH2O system. F. Muntean, M. S. Taylor, W. C. Lineberger

311. AFM studies of fracture surfaces of Composition B energetic materials. M. Y. D. Lanzerotti

312. Ammonium Tetraphenylborate: a prototypical system for understanding aromatic hydrogen bonds N-H···p(Ph). A. Desmedt, N. Jalarvo, T. Steiner, R. E. Lechner

313. The effect of surface reconstruction on molecular chemisorption: A scanning tunneling microscopy study of H8Si8O12 on Au(111). K. S. Schneider, K. T. Nicholson, D. R. Fosnacht, B. G. Orr, M. M. Banaszak Holl

314. Molecular orbital study of the oxidation process of SH radical. Y. Osamura

315. An Indirect Method for Gas Solubility in Model Hydrocarbon Liquids. J. Abedi, J. Breland

316. Autoregressive vibrational dephasing analysis of n3band of methyl iodide in nanoporous glass. E. L. Quitevis, D. Lowe, D. Jindal, R. Griffing, R. E. Wilde

317. Carbon dioxide laser enhancement of anhydride formation from a solution of maleic acid and methanol. K. Wustholz, B. D. Anderson

318. Intensified fluorescence by metal modified radiative rates. E. Holder, J. R. Lakowicz, N. DiCesare, K. Briggman, I. Gryczynski, J. Malicka, Y. Shen, Z. Gryczynski

319. Investigation of excited state dynamics of polypyridyl Osmium (II) complexes by femtosecond transient absorption spectroscopy. D. J. Styers-Barnett, J. C. Granger, G. B. Shaw, C. L. Brown, J. M. Papanikolas

320. Investigation of the reaction of hexabromoiridate(III) with bromine. C. hoag, R. J. Hanrahan

321. Mechanism of migration of A-tracts. A. Spasic, U. Mohanty

322. Microwave studies of benzyl alcohol. K. A. Atticks, R. K. Bohn

323. Non-emissive recombination as a major mechanism of luminance loss in OLED device aging. D. Kondakov, J. Sandifer, C. W. Tang, R. H. Young

324. Numerical simulations of flux of alkali atoms diffusing via multiple surface scattering and of surface light-induced drift in a tube. M. A. Waxman, T. Morgus, A. D. Streater

325. Laser spectroscopy of NiI. W. Tam, S. Hu, J. W. Leung, A. S. Cheung

326. Photophysical properties of fluorinated "Y-enynes" bearing a soft electron donating substitution pattern. B. R. Kaafarani, B. Strehmel, D. C. Neckers

327. Physical organic chemistry of transition metal carbene complexes: Thermomdynamic acidities of pentacarbonyl(cyclobutenyliden)chromium complexes. V. C. Ruddat, C. F. Bernasconi

328. Quantifying the role water plays in protein-ligand binding. S. M. Tschampel, R. J. Woods

329. Quantum chemical studies of Ge(001) surface reconstruction and the adsorption of acetylene on the Ge(001) surface. S. In, C. Bae, Y. S. Lee

330. Role of Acceptor molecule size in the quenching mechanism for unimolecular reactions K. Kannappan, N. Seiser, G. W. Flynn

331. Dynamic transition associated with the thermal denaturation of a small beta protein. D. Russo, J. Perez, J. M. Zanotti, M. Desmadril, D. Durand

332. Infrared spectroscopic investigation of the matrix-isolated reaction products of molecular O2 with laser-ablated plutonium atoms. S. P. Willson, D. K. Veirs, J. Baiardo

333. Effects of electronic excitation on hydrogen atom transfer (tautomerization) reactions for the DNA base adenine: theoretical study. G. M. Chaban, L. M. Salter

334. Energy transfer in direct and complex-mediated reactive scattering of Si+ with H2(v,J) H. Vach, N. Chaabane, G. Peslherbe

335. Evidence for the existence of a two state equilibrium in the photoexcited state of [Ru(bpy)2dppz]2+. M. K. Brennaman, J. H. Alstrum-Acevedo, P. Jang, C. N. Fleming, T. J. Meyer, J. M. Papanikolas

336. Fluctuations and the onset of activity in the BZ reaction. H. M. Hastings, S. G. Sobel, S. G. Chaterpaul, C. Frank, J. Pekor, E. Russell, F. H. Fenton, E. Cherry

337. From Coulomb potential to crystal morphology. L. J. Soltzberg, J. Kolb, D. Marr, M. Wooley

338. H2+(v) + Ne proton-transfer cross sections for v = 1 to 13. X. Qian, T. Zhang, Y. Chiu, D. J. Levandier, J. S. Miller, R. A. Dressler, C. Y. Ng

339. IMS, FTIR and Raman spectroscopy studies of RDX on surfaces N. Mina, S. P. Hernandez, M. E. Castro, I. Cotte

340. Photodecomposition of Thiophosgene at 308 nm. V. Makarov, Y. Gong, B. R. Weiner

THURSDAY MORNING

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Atmospheric Aerosol Chemistry II

Cosponsored with Division of Environmental Chemistry

C. J. Pursell, Presiding

H. C. Allen and D. Worsnop, Organizer

8:20 - 341. Heterogeneous atmospheric chemistry: understanding surface structure of solutions and particles. H. C. Allen

8:40 - 342. Chemistry of secondary organic aerosol formation in selected VOC/oxidant systems. P. J. Ziemann

9:20 - 343. Measurements of cluster ion thermodynamics relevant to atmospheric nucleation. E. R. Lovejoy, K. D. Froyd, J. Curtius

10:00 - Intermission.

10:20 - 344. Mass accommodation coefficient of water vapor on aqueous sulfuric acid surfaces. M. Gershenzon, P. Davidovits, L. R. Williams, Q. Shi, J. T. Jayne, C. E. Kolb, D. R. Worsnop

10:40 - 345. Molecular beam studies of collisions of HCl and HBr with supercooled sulfuric acid. G. M. Nathanson

11:20 - 346. Heterogeneous reactions of organic aerosols analyzed by single-particle time-of-flight mass spectrometry. T. Baer, G. Smith, E. Woods III, R. E. Miller

11:40 - 347. Determination of nitric acid uptake onto sodium chloride particles. M. P. Tolocka, T. D. Saul, M. V. Johnston

Section B
Convention Center -- Room 111

Ordered Molecular Assemblies of Nanoparticles
Surface Modification of Nanoparticles

N. A. Kotov, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

8:20 - 348. Tuning nanoparticle/matrix and nanoparticle/surface interactions. R. B. Lennox

8:50 - 349. Erbium-doped Silicon Quantum Dots and Wires. J. L. Coffer, R. A. Senter, Z. Wang

9:20 - 350. Fluorescence decay time and polarization orientation of individual CdSe/ZnS nanocrystals. A.Mews, F. Koberling, G. Schlegel, T. Basche

9:50 - 351. Dendrimer-encapsulated metal nanoparticles: Applications in size selective catalysis. Y. Niu, R. M. Crooks

10:10 - Intermission.

10:30 - 352. New nanosized transition metal clusters with main group elements as ligands. D. Fenske

11:00 - 353. Azulene-derivatives as sensitizers in electronic interactions at semiconductor nanoparticles. G. Zordan, C. Pagba, K. Deshayes, E. Galoppini, P. Piotrowiak

11:20 - 354. Control of particle size, size distribution and surface properties of nanocrystals grown via high temperature organometallic routes D. V. Talapin, E. V. Shevchenko, H. Weller

11:40 - 355. Interfacial electron transfer dynamics of semiconductor surfaces. L. G. C. Rego, V. Batista

Section C
Convention Center -- Room 110

Applications of Neutron Scattering in Structural Biology and Biophysics
Protein and nucleic acid dynamics II

M. Tarek, Presiding

D. J. Tobias and M. Tarek, Organizer

8:20 - 356. Neutron views of the dynamics of proteins at low temperatures. H. D. Middendorf

9:00 - 357. Low Frequency Vibrational Modes in Plastocyanin: MD and Neutron Scattering. S. Cannistraro, A. R. Bizzarri

9:40 - 358. Insights into the role of solvent on the glass dynamics of proteins through the use of molecular dynamics calculations. J. E. Curtis, M. Tarek, D. J. Tobias

10:00 - Intermission.

10:20 - 359. Protein dynamics studied by neutron scattering and MD simulation. M. Bellissent-Funel

11:00 - 360. Inelastic and quasielastic neutron scattering studies on protein dynamics. M. Kataoka

Section D
Convention Center -- Room 106

Biologically Relevant Molecules in the Gas Phase III

R. B. Gerber, Presiding

M. DeVries and E. R. Williams, Organizer

8:15 - 361. Observing interactions between DNA bases using ion dip spectroscopy. M. de Vries

8:50 - 362. Laser probes of the potential energy landscape and conformational isomerization dynamics of small, flexible biomolecules T. S. Zwier, G. M. Florio, B. C. Dian, A. Longarte

9:25 - 363. Base Pair Analogs in the Gas Phase. D. W. Pratt, J. R. Roscioli

10:00 - Intermission.

10:35 - 364. Three biologically relevant molecules: Urocanic acid, coumeric acid, and anthranilic acid D. H. Levy, W. Ryan, C. A. Southern

11:10 - 365. Fluorescence measurements of trapped oligonucleotide duplexes. A. S. Danell, J. T. Khoury, J. H. Parks

11:45 - 366. Time-Dependent Density Functional Study of the Excited State Electronic Structure of DNA. J. M. Jean

Classical and quantum statistical mechanics studies of solvation
Statistical thermodynamics

Cosponsored with Division of Computers in Chemistry

L. R. Corrales, Presiding

L. X. Dang, G. K. Schenter, and B. Garrett, Organizer

Nonlinear Dynamics in Polymeric Systems

Cosponsored with Division of Polymer Chemistry

L. K. Gross, Presiding

J. A. Pojman and Q. Tran-Cong-Miyata, Organizer

THURSDAY AFTERNOON

Section A
Convention Center -- Room 112

Frontiers in Atmospheric Chemistry
Atmospheric Aerosol Chemistry III

Cosponsored with Division of Environmental Chemistry

C. M. Hadad, Presiding

H. C. Allen and D. Worsnop, Organizer

1:20 - 367. Near real-time measurements of aerosol composition for studies of tropospheric aerosol chemistry: From urban air quality to outflow of Asian plumes. R. J. Weber, D. Orsini, Y. Ma, A. Sullivan, K. Maxwell

2:00 - 368. Investigation of the sources of the aromatic acids detected in aerosol and ambient air samples from Pacific 2001. M. Cox, J. Rudolph, S. Gao, B. Fu

2:20 - 369. Field applications of an aerosol mass spectrometer: What are we learning about aerosol chemical and microphysical properties? J. T. Jayne, M. R. Canagaratna, H. Boudries, P. Silva, J. Jimenez, C. E. Kolb, D. R. Worsnop

3:00 - Intermission.

3:20 - 370. Uptake and reaction of ozone on NaCl and bromide-doped NaCl: A surface analysis approach. J. T. Newberg, K. Inazu, J. C. Hemminger

3:40 - 371. Laboratory studies of potentially important heterogeneous reactions on mineral dust. V. H. Grassian

4:20 - 372. Halide oxidation in sea-salt particles. C. Anastasio, B. Matthew, I. George

4:40 - 373. Size-Segregated Aerosol Composition and Mass Loading of Atmospheric Particles as Part of the Pacific Northwest 2001(PNW2001) Air Quality Study In Puget Sound, WA R. S. Disselkamp, L. Barrie, S. Shutthanandan, S. S. Cliff, T. A. Cahill, G. Bench

Section B
Convention Center -- Room 111

Ordered Molecular Assemblies of Nanoparticles
Synthetic approaches to nanoparticle assemblies

A. Eychmuller, Presiding

N. A. Kotov, V. Colvin, and A. Eychmuller, Organizer

1:20 - 374. Self-assembly of ZnO: from nanodots to nanorods. C. Pacholski, A. Kornowski, H. Weller

1:40 - 375. Self-organization of cadmium sulfide and gold nanoparticles by electrostatic interaction. J. Kolny, A. Kornowski, H. Weller

2:00 - 376. Organizing metal-fluorophore nanoassemblies as 3-dimensional arrays. P. V. Kamat, K. G. Thomas

2:30 - 377. Novel Nonlinear Optical Properties of Doped and Undoped Semiconductor Nanoparticles. J. Z. Zhang, F. Wu, J. Lewis, D. S. Kliger, A. G. Joly, W. Chen, J. Roark

3:00 - Intermission.

3:15 - 378. Ensembles of nanoparticles: interaction with electromagnetic radiation. M. Astakhov, A. Rodin

3:35 - 379. Metallic nanoparticles from spontaneous reduction of Silver(I) in DMSO. D. Díaz, R. Geonel

3:55 - 380. Rational synthesis of the nanoscale transition metal ferrites with structure of discrete

nanoparticles and their assembling properties. V. Kolesnichenko, D. Caruntu, N. H. Chou, C. O'Connor, G. Goloverda, Y. Remond

Section C
Convention Center -- Room 110

Biologically Relevant Molecules in the Gas Phase IV

E. R. Williams, Presiding

M. DeVries and E. R. Williams, Organizer

1:20 - 381. Dissocation dynamics of large biomolecule complexes in the gas phase. J. S. Klassen

1:55 - 382. Structural Dynamics of Protein Ions Stored in an Ion Trap over ~10 ms to 30 s. S. Myung, D. E. Clemmer

2:30 - Intermission.

3:05 - 383. Does IVR take place prior to peptide ion dissociation? C. Lifshitz, Y. Hu, B. Hadas, M. Davidovitz

3:40 - 384. Shattering of peptide ions on surfaces. J. Laskin, T. H. Bailey, J. H. Futrell

Nonlinear Dynamics in Polymeric Systems

Cosponsored with Division of Polymer Chemistry

Q. Tran-Cong-Miyata, Organizer, Presiding

J. A. Pojman, Organizer