Division of Physical Chemistry

Las Vegas ACS National Meeting - Technical Program

The topical symposia in Las Vegas and their organizers are:

• Biophysical Chemistry, R. Griffin , Department of Chemistry, Massachusetts Institute of Technology.
• Dynamics in Molecular Systems, J. Lisy , Department of Chemistry, University of Illinois, Urbana and T. Zwier , Department of Chemistry, Purdue University.
• Heterogeneous & Homogeneous Processes in the Atmosphere (Co-sponsored with the Division of Colloids and Surface Chemistry), J. Hemminger , Department of Chemistry, University of California, Irvine and M. Tolbert , Department of Chemistry & Biochemistry & CIRES, University of Colorado, Boulder.
• Radiation Chemistry, P. Rossky , Department of Chemistry, University of Texas, Austin and D. Bartels , Chemistry Division, Argonne National Laboratories.
• Structure & Dynamics at Liquid Interfaces, J. Zhang and I. Benjamin , Department of Chemistry, University of California, Santa Cruz.
• Self-Assembling Thin Film Materials (Materials Secretariat), M. Tarlov and A. Plant (National Institute of Science & Technolgy). Sessions sponsored by the Division of Physical Chemistry are Organized Multilayered Systems, A. Parikh , Los Alamos National Laboratories, and Nanoscale and Patterned Assemblies, C. Shannon , Department of Chemistry, Auburn University.

The individual symposium organizers of each of the topical symposia have put together compelling symposia by inviting speakers and selecting additional speakers from contributed presentations. The selected contributions come from those that specifically request an oral presentation in their symposium. The criterion for selection is a close connection with the topics addressed in the symposium. Since the symposium organizers are unable to accommodate all requests, the poster sessions are specifically organized to group posters by symposium topic. While the topical symposia do cover a wide range of topics, they cannot cover the full depth or breadth of physical chemistry. The division welcomes general contributions to the poster sessions; these are grouped by subject area. Some highlights from each of the topical symposia follow.

The symposium on Biophysical Chemistry emphasizes magnetic resonance of biological systems ¾ solution and solid state NMR, high field and pulsed EPR, etc. Additional sessions will cover scanning microscopy and other diverse approaches to biophysical chemistry. This symposium will run all week with posters on Wednesday evening.

The symposium on Dynamics in Molecular Systems features seven sessions on molecular dynamics in many different contexts, including isolated molecules, ions, charged/neutral clusters, surface-bound species, and in the condensed phase. In isolated molecules and ions, the dynamics of photodissociation, state-mixing, reaction, and coherent control will be highlighted. The unique intermolecular dynamics of finite-size molecular and ionic clusters will also receive attention, as will the dynamics of molecules colliding with or residing on surfaces and in solids. Symposium posters will be on Sunday evening. The first oral session is Monday morning and the last is Thursday afternoon.

The symposium on Homogeneous and Heterogeneous Processes in Atmospheric Chemistry covers laboratory, field and theoretical studies of atmospheric chemistry. It features a broad range of topics including: gas phase composition and reaction kinetics, ice and acid chemistry, particle formation and composition, toxic compounds in the troposphere, chemistry of sea salt particulates, and chemistry on surfaces of metal oxides and soot." This symposium is co-organized with the Division of Colloid and Surface Chemistry and will be running in both Divisions. In other words, the presentations are distributed between the two divisional programs. The first half of the symposium (Monday and Tuesday) will be in Colloids & Surface Chemistry. The second half (Wednesday and Thursday) will be in the Physical Chemistry. The symposium poster session will be Tuesday evening in the Division of Colloids & Surface Chemistry. For the purposes of the program, it will look like this is two symposia with the same name, one in each division. For the purposes of the attendee, this is just one symposium.

The symposium on Radiation Chemistry addresses broadly, in five oral sessions, the physical chemistry associated with the interaction of ionizing radiation with condensed matter. Sessions will include both fundamental mechanistic issues that underlie the observed chemistry and application to practical chemical problems. Symposium posters will be on Sunday evening and the oral presentations begin Monday morning and conclude with the Wednesday morning session.

SUNDAY EVENING

Section A

Poster Session: Spectroscopy

E. B. Stechel, Presiding

8:00-11:00

1. - Absorption spectrum of high-temperature carbon dioxide in the solar region. R. D. Guettler, J. L. Lyman, R. J. Jensen
2. - The B¹PI_u state of K₂ and Franck-Condon factors for K₂(B¹PI_u-X¹SIGMA⁺_g) transitions. J. M. Standard
3. - B -state fluorescence lifetimes of methylvinoxy isomers. S. A. Williams, E. Zingher, J. C. Weisshaar
4. - Collisional quenching of highly vibrationally excited 2-methyl-pyrazine by CO₂ translational and rotational excitation of the CO₂ (00⁰0) vibrationless state. E. T. Sevy, Z. Lin, G. W. Flynn
5. - Holeburning spectroscopy and intermolecular potential calculation for isomers of propynal-Ar and glyoxal-Ar with large amplitude vibrational motions. P. C. DeRose, B. Xue, P-Y. Cheng, L. Lapierre, Y. Chen, H-L. Dai
6. - Laboratory spectroscopy of exotic carbon chains and rings. M. C. McCarthy, M. J. Travers, C. A. Gottlieb, P. Thaddeus
7. - A method for empirically calculating band shape for molecular electronic spectroscopy. G. M. Pearl, M. C. Zerner, A. Broo, J. McKelvey
8. - Personal computer-based NMR spectrometer. J. A. Shumway, C. Job, M. F. Brown
9. - Rotational dynamics of Coumarin 153. M-L. Horng, J. A. Gardecki, M. Maroncelli
10. - Spectroscopy and conformation of diphenylamine and diphenylether. I. V. Tretiakov, N. Szabo, J. R. Cable
11. - Spectroscopy and non-linear optical absorption of a alpha,omega-dithienyl polyenes. L. V. Natarajan, L. A. Sowards, C. W. Spangler, R. L. Sutherland, P. A. Fleitz, T. M. Cooper
12. - The spike in the C₆₀ - ESR spectrum: Oxygen effect and negative temperature dependence of the C₆₀O₂- isomerization rate. Y. L. Hwang, C. C. Yang, K. C. Hwang
13. - Structure and dynamic studies of human interleukin-5 using NMR spectroscopy. D. V. Mehta, R. J. DiGate, D. L. Banville, R. D. Guiles
14. - A study of the intermolecular hydrogen bonding in simple amides by inelastic neutron scattering. C. N. Tam, P. Bour, F. R. Trouw

Section B

Poster Session: Dynamics in Molecular Systems

E. B. Stechel, Presiding

8:00-11:00

15. - Ab initio calculations on chloro-nitrogen compound photodissociation. J. R. Kersten, R. W. Schwenz
16. - Ab initio direct dynamics studies of gas-phase hydrogen abstraction reactions. T. N. Truong
17. - A direct dynamics study of the product translational energy distribution for the F+C₂H₄ ->C₂H₃F + H reaction. K. Song, K. Bolton, W. L. Hase, H. B. Schlegel
18. - Electronic structure of titanium oxide clusters: TiO_x (x=1-3) and (Ti0₂)_x (x=1-4). L-S. Wang, H. Wu
19. - Gas-phase proton transfer from strong acid to ammonia: The least number of water molecules involved. F-M. Tao, R. A. Cazar, A. W. Largent, S. Emory, A. J. Jamka, M. T. Nguyen
20. - New methodology in the quasiclassical simulations of A + BC reactive events. M. R. Salazar, J. Simons, R. L. Bell
21. - Nucleophilic additions to cumulenes: A quadratic CI study of the hydrolysis of the parent carbodiimide. M. Lewis, R. E. Glaser
22. - Spin dynamics in dipole-coupled molecular systems. Y-Y. Lin, A. Pines
23. - Structural characterization of the fullerene coalescence products using high-resolution ion mobility measurements. A. A. Shvartsburg, R. R. Hudgins, P. Dugourd, M. F. Jarrold
24. - Collision-induced dissociation and photodissociation studies of (N₂0, H₂0/D₂0) + cluster ions in a guided-ion beam apparatus. Y-H. Chiu, S. Williams, R. A. Dressler, D. J. Levandier, E. Murad
25. - Femtosecond photoelectron spectroscopy of I₂-(Ar)_n and I₂-(CO₂)_n clusters. B. J. Greenblatt, M. T. Zanni, A. J. Bradley, D. M. Neumark
26. - IR polarization study of the UV photodissociation of acetyl chloride: Alignment of photoproducts in the condensed-phase. B. Rowland, W. P. Hess
27. - Molecular dynamics simulations of dissociation and exchange dynamics in gas-phase complexes of alkali metal and alkaline earth ions with crown ethers and glymes. D. E. Hurt, R. B. Shirts, D. V. Dearden
28. - Nonstatistical unimolecular dissociation- barriers and Franck-Condon factors. D. H. Mordaunt, D. M. Neumark
29. - Photodissociation dynamics of hydrogen chloride. A. Strizhev, X. Li, R. Liyanage, R. J. Gordon
30. - Photodissociation dynamics of molecules in rare gas clusters and matrices. B. Schmidt
31. - The photodissociation dynamics of solvated molecular cluster ions. S. Nandi, A. Sanov, W. C. Lineberger
32. - Simulation of photodissociation in molecular cluster ions: Effect of solvent-solute electrostatic interactions. N. Delaney, J. Faeder, P. E. Maslen, R. Parson
33. - Studying reactive intermediates via photodetachment of anionic clusters. J. B. Kim, P. G. Wenthold, K-L. Jonas, W. C. Lineberger
34. - Ultrafast photochemistry of the S₂ state of acetone and dynamics of the acetyl radical. A. P. Baronavski, J. C. Owrutsky
35. - Ultrafast relaxation dynamics of CIS-1,3,5-hexatriene in solution. N. A. Anderson, S. H. Pullen, L. A. Walker, R. J. Sension
36. - Vibrational relaxation dynamics of iodine-arene complexes. H. Liu, S. H. Pullen, L. A. Walker, R. J. Sension
37. - A crossed beams study on the chemical dynamics in the C(³P_J)/H₂S system-impact induced sulfur chemistry in the collision of comet Shoemaker/Levy 9 with Jupiter. R. I. Kaiser, C. Ochsenfeld, W. J. Sun, M. Head-Gordon, Y. T. Lee, A. G. Suits
38. - Formation of the CF₃O- anion via ion-molecule and electron attachment reactions. R. A. Morris, A. A. Viggiano, T. M. Miller, J. F. Paulson
39. - Diabatic analysis of the electronic states of hydrogen chloride. R. Liyanage, A. Strizhev, X. Li, R. J. Gordon, R. W. Field
40. - Guided ion beam studies of the reactions of Fe_n⁺ (n=1-10) with ND₃. R. Liyanage, J. B. Griffin, P. B. Armentrout
41. - A high temperature guided-ion beam study of Na + X⁺ (X = 0₂, N₂, NO) charge transfer reactions. S. Williams, D. J. Levandier, R. A. Dressler, E. Murad
42. - Laser assisted cluster beam deposition. J. F. Garvey, R. L. DeLeon, W. M. K. P Wijekoon, P. N. Prasad
43. - Product energy disposal studies of desulfurization processes with ground state oxygen atoms. B. R. Weiner, K. Ravichandran, X. Chen, Y. Cheng, J. Han
44. - Production and decomposition of the hydroxymethyl radical. V. Aristov, D. Conroy, H. Reisler
45. - Resonant multiphoton ionization spectroscopy of single aluminum atoms bound to argon clusters: Evidence for surface binding. J. M. Spotts, C-K. Wong, M. S. Johnson, M. Okumura
46. - Structure and dynamics of intermediate benzene-argon clusters: (C₆H₆)Ar_n, n=13-40. D. C. Easter
47. - Supersonic free jet spectroscopy of the AlCaO radical. B. T. Feranchak, R. Pereira, J. J. Batka, D. H. Levy
48. - Vibrational mode selective intramolecular dynamics of some aromatic molecules in a supersonic jet. S. Jiang, D. H. Levy
49. - Electron transmission through organized organic thin films. R. Naaman, A. Kadyshevitch, A. Haran, S. P. Ananthavel
50. - Collision-induced intramolecular energy transfer of the vinoxy radical. K. I. Barnhard, R. Wan, B. R. Weiner
51. - Synthesis, optical properties and photoluminescence quenching of silicon nanocrystals. S. Li, M. S. S. El-Shall
52. - Gas phase reactions of radical cations in aromatic/olefin binary systems. J. Gao, Y. B. Pithawalla, M. S. S. El-Shall
53. - Kinetics and mechanism of hydrogenation of some olefins catalysed by anchored montmorillonitebipyridinepalladium (II) acetate. D. T. Sadanand, P. K. Sai Prakash
54. - Pyridine catalyzed kinetic and mechanistic studies of Dakin-West reaction. G. K. Devulapalli, K. C. Rajanna, P. K. Sai Prakash
55. - Real-time measurements of charged particles from laser ablation of lead zirconate titanate (PZT) target. K. W. Jung, B-S. Yu, H-S. Im
56. - State-specific reaction and product energy disposal of electronically excited potassium with hydrogen molecule. D-K. Liu, K-C. Lin

Section C

Poster Session: Radiation Chemistry

E. B. Stechel, Presiding

8:00-11:00

57. - Alternate method for treating competition kinetics: The reaction of OH radical with IrBr₆^3-. C. M. Hoag, R. J. Hanrahan
58. - Decomposition of benzene derivatives by ultrasound and VUV-photons. R. Katoh, H. Yokoi, S. Usuba, Y. Kakudate, S. Fujiwara
59. - Electron reactions in supercritical ethane. R. A. Holroyd, M. Nishikawa, K. Itoh
60. - Free radical reactions at NaNO₃/organic interfaces. K. Knutsen, T. M. Orlando
61. - Hydrated electrons and other radicals produced in water with high LET radiations: Pulse radiolysis studies with carbon and sulfur ions. G. Baldacchino, S. Bouffard, E. Balanzat, M. Gardes-Albert, Z. Abedinzadeh, D. Jore, S. Deycard, B. Hickel
62. - Lack of ionic strength effect in the recombination of hydrated electrons: (e^-)aq + (e^-)aq -> 2(OH^-) + H₂. D. M. Bartels
62a. - Last encounter time before reaction. N.J.B. Green, A.G. Rickerby
63. - Magnetic field effects on the recombination fluorescence of anthracene cation and perfluorocarbon anions. V. M. Grigoryants, S. Lipsky
64. - The new picosecond pulse radiolysis system at Brookhaven National Laboratory. J. F. Wishart
65. - NO_x, heterogeneity and radiation chemistry in nuclear waste. D. Meisel, A. R. Cook, L. A. Curtiss
66. - The origin and molecularly detailed calculation of the effective mass of excess electrons in condensed xenon. B. Space, F. Bowen
67. - The properties of ground and excited-state organic radical cations in solid rare gas matrices. V. I. Feldman
68. - Solute-fluid clustering and Onsager's cavity radius in supercritical fluids. K. Takahashi, S. Sawamura, C. D. Jonah
69. - Structural investigations on sulfur-centered radical intermediates. T. Tobien, G. N. R. Tripathi, I. Carmichael, K-D. Asmus
70. - Transfer kinetics of electron as well as protons in the first excited singlet, lowest triplet, and ground states of aqueous 6-hydroxyquinoline. D-J. Jang, T. G. Kim, H. Yu
71. - The use of hydrated DNA models in studying the transfer of radiation-induced damage in and to DNA. S. G. Swarts, J. M. Falcone, M. D. Sevilla, D. Becker, K. T. Wheeler

Section D

Poster Session: Structure & Bonding, Materials & Polymers

E. B. Stechel, Presiding

8:00-11:00

72. - Elastic recoiled detection of hydrogen diffused on Ti-6Al-4V alloy. M. M. Khaled, A. Choban
73. - Mesoscale optical and transport properties of organic semiconductor thin films. G. M. Credo, K. D. Weston, S. K. Buratto
74. - Molecular design and electroluminescent characteristics of a series of novel oligomers containing triphenylamine groups and 9-phenylcarbazole units. Y-F. Wang, T. M. Chen, T. Nakaya
75. - A new photoalignment technique for uniform liquid crystal alignment. K. A. Grueneberg, D. K. Shenoy, J. Naciri, U. K. Kakarla, R. N. Shashidhar
76. - Thermodynamics of the solubility of fullerenes. A. L. Smith, G. Oloffson, M. V. Korobov, A. L. Mirakyan, R. E. Ruoff
77. - Ab initio calculations of aromatic C-H bond dissociation energies relevant to coal combustion. C. Barckholtz, T. A. Barckholtz, C. M. Hadad
78. - An ab initio study of the weak bonding interactions within the H₂S dimer. A. J. Jamka, R. A. Cazar, F-M. Tao
79. - AM1 study of some EDA complexes of nitrogen heterocyclics. A. C. Testa
80. - The chemical bond: A misnomer. B. S. Tice

Section E

Poster Session: Condensed Matter

E. B. Stechel, Presiding

8:00-11:00

81. - Characterization of novel nonlinear optical organic chromophores via the method of solvatochromism. H. B. Simpson, N. W. Westendorf, S. B. Allin
82. - Computer simulation studies of quantum manybody systems. A. Hughes, G. Martyna
83. - Computer simulation studies of conformational equilibria in polypeptides. S. Samuelson, G. Martyna
84. - Excited-state properties of [1-(4-methoxyphenyl)-3-(amino)-2,4-(dicyano)-9,10-tetrahydrophenanthrene]. I. A. Z. Al-Ansari
85. - Langevin dipoles model for ab initio calculations of chemical processes in solution: Parametrization and application to phosphate ester hydrolysis and conformational analysis in aqueous solution. J. Florian, A. Warshel
86. - Molecular dynamics of C₆₀ in toluene as a function of temperature. A. A. Rodriguez, X. Shang
87. - Quantum and classical molecular dynamics studies of proton translocation in bulk water. M. Pavese, G. A. Voth
88. - Withdrawn.
89. - Temperature dependence of first-order molecular hyperpolarizabilities via the method of solvatochromism. N. W. Westendorf, H. B. Simpson, S. B. Allin
90. - Theoretical models for dynamics of molecular ions in condensed phases. S. Shin, J. Ka

MONDAY MORNING

Section A

Biophysical Chemistry
Solid State NMR in Biological Systems

R. G. Griffin, Organizer, Presiding

8:20 - 91. Structures of solid state proteins by NMR. A. E. McDermott, L. Gilchrist, A. Bockmann, T. Polenova
9:00 - 92. Structures of structured and unstructured peptides from solid state NMR. R. Tycko, A. E. Bennett, H. W. Long, D. P. Weliky
9:40 - 93. Solid-state NMR studies of energy transduction in bacteriorhodopsin. J. Herzfeld

Section A

Biophysical Chemistry
EPR in Biological Systems

R. G. Griffin, Presiding

10:40 - 94. Pulsed EPR studies of the role of tyrosine Y_z in PS II oxygen evolution. R. D. Britt, K. Campbell, D. Force, J. Peloquin, B. Diner, D-S. Tang, K. Clemens, D. Randall
11:20 - 95. Time-resolved spin labeling EPR spectroscopy. Y-K. Shin

Section B

Dynamics in Molecular Systems
Solids and Surfaces

J. Lisy, Organizer, Presiding
T. Zwier, Organizer

8:20 - 96. Hyperthermal impact of large molecular ions at surfaces: Neutralization, fragmentation, shattering and implantation. M. M. Kappes, R. D. Beck, J. Pfister, G. Brauchle, S. Gilb, P. Weis
9:00 - 97. Desorption of organic molecules from surfaces. B. J. Garrison, L. V. Zhigilei, P. B. S. Kodali, K. D. Krantzman, S. L. Liu, J. C. Vickerman
9:40 - 98. Anomalous kinetics on disordered catalyst surfaces. M. W. Deem, J-M. Park
10:00 - 99. Femtosecond dynamics of two-dimensional electron localization at metal-dielectric interfaces. N-H. Ge, C. M. Wong, R. L. Lingle, J. D. McNeill, K. J. Gaffney, C. B. Harris
10:20 - Break
10:40 - 100. Time resolved infrared dynamics of adsorbates. P. M. Guyot-Sionnest
11:20 - 101. Dynamical spectroscopy of many-body interactions. V. A. Apkarian

Section C

Radiation Chemistry
Solvated Electrons: Dynamics of Formation

P. J. Rossky, Organizer, Presiding
D. M. Bartels, Organizer

8:15 - Opening remarks - David Bartels
8:20 - 102. The solvation of benzophenone anions and electrons in alcohols - the role of solvent structure. C. D. Jonah, Z. Xujia, L. Yi, M. Mudaliar
9:00 - 103. Are we certain of the details of electron solvation? E. Keszei
9:40 - 104. Solvent isotope effects in the photophysics of the equilibrated hydrated electron. C. Silva, P. K. Walhout, K. Yokoyama, P. F. Barbara
10:20 - Break
10:40 - 105. Electron solvation in methanol: Mechanism and dynamics. A. A. Mosyak, L. Turi, P. J. Rossky
11:00 - 106. Multiphoton ionization of water. R. A. Crowell, D. M. Bartels
11:20 - 107. Fluctuation of polar solvents, pre-existing electron traps and electron transfer reactions. M. Tachiya, M. Hilczer

Section D

Structure and Dynamics at Liquid Interfaces

J. Z. Zhang, Organizer
I. Benjamin, Organizer, Presiding

8:20 - 108. Vibrational spectroscopic studies of liquid interfaces. Y. R. Shen
9:00 - 109. Numerical simulations of electron transmission through molecular layers. A. Nitzan, I. Benjamin, D. G. Evans, T. Seidman, M. Galperin
9:40 - 110. Coadsorption of sodium dodecyl sulfate and dodecanol at the air/water and solid/water interfaces. B. D. Casson, R. N. Ward, P. B. Davies, C. D. Bain
10:00 - 111. In-situ characterization of molecular absorption at solid-liquid interfaces by transmission SHG. J. Li, Z. Xu
10:20 - Break
10:40 - 112. Fibrillar self-assembly and the role of interfaces. M. C. Goh
11:20 - 113. Continuous pseudophase transitions in microemulsions. J. Texter, B. Antalek, A. J. Williams

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

Section F

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry

See Division of Colloid & Surface Chemistry

MONDAY AFTERNOON

Section A

Biophysical Chemistry
Diverse Approaches in Biophysical Chemistry

J. Ross, Presiding
R. G. Griffin, Presiding

1:20 - 114. Tomographic observation of 3-dimensional vortices of chemical activity. A. T. Winfree
2:00 - 115. Genomics and DNA chips. D. J. Lockhart, M. S. Chee
2:40 - 116. Organization and manipulation of membrane components in fluid supported lipid bilayers. S. G. Boxer, J. T. Groves, N. Ulman, P. Cremer
3:20 - Break
3:40 - 117. Metabolic engineering. G. N. Stephanopoulos
4:20 - 118. Functional analysis of biochemical and genetic reaction networks. A. P. Arkin, J. Ross

Section B

Dynamics in Molecular Systems
Photodissociation

T. R. Rizzo, Presiding

1:20 - 119. Ab initio theoretical studies of mechanism of photodissociation of small molecules: C₂H₂, HNCO and ketene. K. Morokuma, J. E. Stevens, Q. Cui
2:00 - 120. Competing pathways in the photoinitiated decomposition of HNCO. H. Reisler, M. Zyrianov, A. Sanov, T. Droz-Georget
2:40 - 121. Observing intramolecular energy flow and controlling bond-cleavage using vibrationally mediated photodissociation. F. F. Crim
3:20 - Break
3:40 - 122. Vector properties in photodissociation. J. A. Beswick
4:20 - 123. Photodissociation of oriented complexes: State-to-state vibrational dynamics. R. E. Miller, L. Oudejans
4:40 - 124. Enhanced one-atom caging in the photodissociation of Ar-HF clusters through brute force alignment. R. J. Hinde

Section C

Radiation Chemistry
Solvated Electrons: Properties and Reactions

P. F. Barbara, Presiding

1:20 - 125. Energetics for reactions of solvated electrons and other strong reductants in THF. R. Marasas, T. Iyoda, J. R. Miller
2:00 - 126. Electron transfer between a solvated electron and an acceptor in a glass. R. I. Cukier, L. A. Lavtchieva
2:20 - 127. Electron transmission in organic thin films. D. G. Evans
2:40 - 128. Electron equilibria in hydrocarbons. R. A. Holroyd
3:20 - Break
3:40 - 129. Behavior of hydrated electron in reactions with oxidizing radicals. R. W. Fessenden, T. Ichino
4:20 - 130. Electronic absorption spectra of the excess electron on water clusters: Is it a surface state after all. P. Ayotte, C. G. Bailey, M. A. Johnson

Section D

Structure and Dynamics at Liquid Interfaces

J. M. Hicks, Presiding

1:20 - 131. Laser study of molecules at liquid and solid interfaces. K. B. Eisenthal
2:00 - 132. Spectroscopic studies of molecular structure and interactions at liquid/liquid interfaces. G. L. Richmond
2:40 - 133. Dynamics of polar solvation in reversed micelles: Interface and restricted size effects. N. E. Levinger, R. E. Riter, D. M. Willard
3:00 - 134. Simulations of water and water-chlorinated hydrocarbon liquid/liquid interfaces with polarizable potential models. L. X. Dang
3:20 - Break
3:40 - 135. Spectroelectrochemical studies of charge transfer reactions at liquid/liquid interfaces. H. H. Girault, P-F. Brevet, P. Hebert, R. Antoine, Z. Ding, H. Duong
4:20 - 136. Second harmonic generation measurements of electrostatic biopolymer-surfactant coadsorption at the liquid/liquid interface. R. M. Corn, H. J. Paul
4:40 - Discussion

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

Section F

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry

See Division of Colloid & Surface Chemistry

TUESDAY MORNING

Section A

Biophysical Chemistry
Solid State NMR in Biological Systems

B. M. Hoffman, Presiding

8:20 - 137. Solid state NMR studies of dynamic aspects of DNA recognition. M. Hatcher, S. Kiihne, K. Geahigan, D. Gregory, J. Stringer, M. Mehta, M. Merritt, J. Shiels, J. Orban, G. P. Drobny
9:00 - 138. NMR studies of bicelles and associated peptide. J. Struppe, R. S. Prosser, R. R. Vold
9:40 - 139. Local structure and structural changes in membrane proteins by solid-state NMR. L. K. Thompson, J. Wang, Y. S. Balazs, E. Del Federico, O. J. Murphy

Section A

Biophysical Chemistry
EPR in Biological Systems

B. M. Hoffman, Presiding

10:40 - 140. Measurement of interspin distance by time-domain EPR of spin-labeled methemoglobin and metmyoglobin mutants. S. S. Eaton, G. R. Eaton, Y. Zhou, B. Bowler, M. Seiter, V. Budker
11:20 - 141. Probing the interactions giving rise to the S3 EPR signal in photosystem II. H. A. Kuhne, K. V. Lakshmi, V. A. Szalai, G. W. Brudvig

Section B

Dynamics in Molecular Systems
Clusters- Neutral

T. Zwier, Presiding

8:20 - 142. Partially bonded molecules and their transition to the crystalline state. K. R. Leopold
9:00 - 143. Structure, electronic relaxation and vibrational predissociation of the electronically excited SO2(C)-Ar complex. B. Xue, H-L. Dai, T. Troxler
9:20 - 144. Micro-solvation in water clusters - -interplay between structure and dynamics. H-P. Cheng
9:40 - 145. Nonlinear Raman spectroscopy of molecular clusters. W. Kim, J. Romascan, P. M. Felker
10:20 - Break
10:40 - 146. Vibrational spectroscopy of small hydrogen-bonded complexes trapped in rare gas host clusters. F. Huisken
11:20 - 147. Spectroscopy of doped quantum clusters. K. B. Whaley

Section C

Radiation Chemistry
Free Radicals in the Condensed Phase

D. M. Bartels, Presiding

8:20 - 148. Spectroscopy and kinetics of radicals in liquids and in pressurized gases. E. Roduner
9:00 - 149. Electron transfer in water-soluble fullerenes as studied by pulse radiolysis. D. M. Guldi, K-D. Asmus
9:20 - 150. Ultrafast study of the photodissociation and recombination of aqueous 03-. P. F. Barbara, P. K. Walhout, C. Silva
9:40 - 151. Recovering boundaries for partly diffusion-controlled reaction kinetics. N. J. B. Green, A. G. Rickerby
10:20 - Break
10:40 - 152. Hole injection and small polarons in liquid cycloalkanes. I. A. Shkrob, A. Liu, M. C. Sauer, K. Schmidt, A. D. Trifunac
11:20 - 153. Elementary processes and molecular dynamics in solid state photochemistry. N. Schwentner

Section D

Structure and Dynamics at Liquid Interfaces

N. E. Levinger, Presiding

8:20 - 154. Collisions and reactions of organic molecules with sulfuric acid and glycerol. K. M. Fiehrer, M. D. Antman, B. R. Ringeisen, J. R. Morris, G. M. Nathanson
9:00 - 155. Reactive uptake of gas phase molecules by liquids; Reactions at the interface. Q. Shi, Y. Q. Li, P. Davidovits, J. T. Jayne, D. R. Worsnop, C. E. Kolb
9:40 - 156. Adsorption and solvation of ethanol at the water liquid-vapor interface: A molecular dynamics study. M. A. Wilson, A. Pohorille
10:00 - 157. Reactive scattering of oxygen atoms on a liquid hydrocarbon surface. D. J. Garton, T. K. Minton, M. Alagia, N. Balucani, P. Casavecchia, G. G. Volpi
10:20 - Break
10:40 - 158. Behavior of polar molecules at dynamic ice interfaces. C. M. Bouchez, F. M. Geiger, A. C. Tridico, E. Fridell, J. M. Hicks
11:20 - 159. Water on the surface of hygroscopic liquids. M. J. Shultz, S. Baldelli, C. S. Schnitzer, D. J. Campbell
11:40 - 160. Computer simulations of cesium adsorption on hydrated clay minerals. D. E. Smith

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

Section F

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry

See Division of Colloid & Surface Chemistry

TUESDAY AFTERNOON

Section A

Biophysical Chemistry
DNA/RNA Structure

G. Wagner, Presiding

1:20 - 161. Interlocking structural motifs mediate the molecular discrimination of a theophylline binding RNA. G. R. Zimmermann, R. D. Jenison, C. L. Wick, J. P. Simorre, A. Pardi
2:00 - 162. New insights into RNA folding from structures of small RNAs. J. Feigon
2:40 - 163. RNA-protein interactions. J. R. Williamson

Section B

Biophysical Chemistry
DNA/RNA Solution NMR

G. Wagner, Presiding

3:40 - 164. Structural origins of aminoglycoside antibiotic action. J. D. Puglisi, D. Fourmy, M. I. Recht, S. Yoshizawa, S. C. Blanchard, R. G. Eason
4:20 - 165. Protein dynamics on microsecond time scales. A. G. Palmer, M. Akke, A. M. Mandel

Section C

Radiation Chemistry
Nonhomogeneous Kinetics in Radiation Tracks

C. D. Jonah, Presiding

1:20 - 166. Femtosecond events in radiation chemistry. L. Sanche
2:00 - 167. Chemical consequences of track structure in low-let radiolysis. S. M. Pimblott
2:40 - 168. Research on the intra-track chemical reactions using monochromatic synchrotron photons. K. Kobayashi, N. Usami, R. Watanabe, K. Takakura, K. Hieda
3:20 - Break
3:40 - 169. End-of-range interactions of positive muons. J. H. Brewer, G. D. Morris, V. Storchak
4:00 - 170. Spectroscopic studies of the radiation chemistry of nanometer liquid pools in zeolites. G. Zhang, X. Liu, J. K. Thomas
4:20 - 171. Electron and hole transfer within DNA and its hydration layer. M. D. Sevilla, D. Becker, Y. Razskazovskii

Section D

Structure and Dynamics at Liquid Interfaces

M. C. Goh, Presiding

1:20 - 172. Molecular dynamics of peptide folding at aqueous interfaces. A. Pohorille, C. Chipot
2:00 - 173. Molecular dynamics simulation studies of solute permeation of lipid bilayers. T. R. Stouch, D. Bassolino, M. Davis
2:40 - 174. Interfacial adsorption and desorption: Using sum frequency spectroscopy to examine long time interfacial dynamics. R. A. Walker, D. E. Gragson, G. L. Richmond
3:00 - 175. Molecular dynamics simulation of ionic solvation at curved and planar interfaces. S. J. Stuart, B. J. Berne
3:20 - Break
3:40 - 176. Lateral diffusion of acridine orange on chemically modified silica of varying density. M. J. Wirth, J. M. Kovaleski
4:20 - 177. Metal ion complexants at liquid interfaces. D. S. Karpovich, A. G. Joly, D. Ray
4:40 - Discussion

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

TUESDAY EVENING

Section A

Town Meeting with National Science Foundation

J. Osteryoung, Organizer, Presiding
W. C. Lineberger, Organizer, Presiding

Section B

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry

See Division of Colloid & Surface Chemistry

WEDNESDAY MORNING

Section A

Biophysical Chemistry
Solid State NMR in Biological Systems

R. G. Bryant, Presiding

8:20 - 178. Signal transduction across cell membranes from the perspective of glutamic acid. S. O. Smith
9:00 - 179. Structure determination of membrane proteins by NMR spectroscopy. S. J. Opella
9:40 - 180. The stacking of chlorophylls in chlorosomes from MAS NMR dipolar correlation spectroscopy. H. J. M. de Groot, G. J. Boender, B. J. van Rossum, F. M. Mulder, T. S. Balaban, A. Holzwarth, K. Schaffner

Section A

Biophysical Chemistry
EPR in Biological Systems

R. G. Bryant, Presiding

10:40 - 181. As the helix turns. G. L. Millhauser
11:20 - 182. Endor spectroscopy of enzyme intermediates. B. M. Hoffman, J-P. Willems, H. I. Lee, D. Burdi, A. Dexter, J. Stubbe, L. Hager

Section B

Dynamics in Molecular Systems
Ions

L. A. Posey, Presiding

8:20 - 183. Translational activation of ion-molecule reactions: Exchange and abstraction. K. M. Ervin
9:00 - 184. Structure of metal clusters and complexes. P. A. Hackett, D. S. Yang, M. Z. Zgierski, D. R. Salahub, A. Martinez
9:40 - 185. Vibrational predissociation spectroscopy of the (H₂O)₆-Ar_m clusters. C. G. Bailey, P. Ayotte, J. Kim, M. A. Johnson
10:00 - 186. Collision induced dissociation of size selected cluster ions. J. F. Garvey
10:20 - Break
10:40 - 187. Infrared spectroscopy of ionic complexes. J. P. Maier
11:20 - 188. Dissociative photodetachment probes of isomeric forms of molecular anions. R. E. Continetti, M. S. Resat, V. Zengin, M. C. Garner

Section C

Radiation Chemistry
Applications

S. M. Pimblott, Presiding

8:20 - 189. Aqueous radiation chemistry applications in nuclear power reactors. J. A. Elliot
9:00 - 190. Hydrocarbon reactions on zeolite catalysts: A radiolysis/EPR study. D. W. Werst, P. Han
9:40 - 191. Commonality in the radiation chemistry of food constituents: Application to regulatory approval. I. A. Taub
10:20 - Break
10:40 - 192. Radiation processing of the fluoropolymers FEP and ETFE in the radiation grafting method. H-P. Brack, H. G. Buehrer, G. G. Scherer
11:00 - 193. Radiocatalytic degradation of organic contaminants in TiO₂ suspensions. Y. Su, Y. Wang, M. A. Henderson, J. L. Daschbach, T. Fryberger, C. H. F. Peden
11:20 - 194. The application of high energy electron beam irradiation in pollution control: An overview and research needs. W. J. Cooper

Section D

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry
Gas Phase Atmospheric Chemistry and Kinetics

M. Tolbert, Organizer
J. Hemminger, Organizer
B. J. Finlayson-Pitts, Presiding

8:20 - 195. Liquefied petroleum gas as a source of NMHCs in urban areas. D. R. Blake
9:00 - 196. Ultraviolet photolysis of ClOOCl. T. A. Moore, M. Okumura, J. W. Seale, D. J. Garton, T. K. Minton
9:40 - 197. Laboratory studies on the atmospheric photolysis of nitrous acid. S. Ashbourn, R. A. Cox
10:00 - 198. Kinetics studies of the HO₂ + ClO reaction. B. Laszlo, R. R. Friedl, S. P. Sander
10:20 - Break
10:40 - 199. Laboratory studies of atmospheric chemical kinetics and photochemistry. P. H. Wine
11:20 - 200. Temperature dependent kinetics of the CH₃O₂ + Cl and CH₃O₂ + ClO reactions. S. L. Nickolaisen, S. P. Sander
11:40 - 201. Kinetic and mechanistic studies for reactions of CF₃CH₂CHF₂ (HFC-245fa) initiated by H- atom abstraction using atomic chlorine. H. Magid, J. Chen, V. Young, H. Niki

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

WEDNESDAY AFTERNOON

Section A

Biophysical Chemistry
Protein NMR

J. R. Williamson, Presiding

1:20 - 202. Protein structures from dipolar NMR splittings in field oriented media. J. H. Prestegard
2:00 - 203. NMR studies of receiver domain activation: NTRC. D. E. Wemmer, D. Kern, M. Nohaile, B. Volkman, S. Kustu, K. Stedman

2:40 - 204. NMR studies of protein-ligand interactions. G. Wagner

Section A

Biophysical Chemistry
Chemical Shift and J-Coupling Calculations

J. R. Williamson, Presiding

3:40 - 205. Solid state NMR of proteins and model systems: Experimental and theoretical approaches. E. Oldfield
4:20 - 206. Chemical shifts and their anisotropies in proteins and nucleic acids. D. Sitkoff, A. Dejaegere, D. A. Case

Section B

Dynamics in Molecular Systems
Clusters - Ions

J. F. Garvey, Presiding

1:20 - 207. Proton solvation in water clusters: Quantum and classical monte carlo studies, graph theoretical enumeration of hydrogen-bonded arrangements, and compact/extended transitions. L. Ojamae, S. McDonald, D. Lu, I. Shavitt, S. J. Singer
2:00 - 208. Studies of anion cluster photodissociation dynamics using femtosecond photoelectron spectroscopy. D. M. Neumark
2:40 - 209. Binary molecular clusters of aromatic - polar systems: Structures, multiphoton ionization and intracluster reactions. M. S. S. El-Shall, I. McComish, G. M. Daly, Z. Yu
3:00 - 210. Photoinitiated metal-to-ligand charge transfer from a cluster perspective. T. G. Spence, B. T. Trotter, L. A. Posey
3:20 - Break
3:40 - 211. Exploring cluster dynamics in the ultrafast time regime. A. W. Castleman, D. A. Card, D. E. Folmer, S. Sato, S. A. Buzza, E. M. Snyder
4:20 - 212. Growth pathways of metallocarbohedrenes (MetCars): Cage-like or cubic. L-S. Wang, H. Cheng
4:40 - 213. Charge flow and solvent dynamics in the photodissociation of cluster ions. R. Parson, J. Faeder, N. Delaney, P. E. Maslen

Section C

Structure and Dynamics at Liquid Interfaces

A. Nitzan, Presiding

1:20 - 214. Structure of the liquid-vapor interface of binary alloys. S. A. Rice
2:00 - 215. X-ray scattering studies of the liquid metal surface. P. S. Pershan, M. J. Regan, O. M. Magnussen, E. DiMasi, H. Tostmann, B. M. Ocko, M. Deutsch
2:40 - 216. Atomic beam studies of the stiffness and roughness of liquid metal surfaces. M. Manning, W. R. Ronk, J. A. Morgan, G. M. Nathanson
3:00 - 217. Structure of the liquid-vapor interfaces of metals and binary alloys from computer simulations: Simple model potential approach. D. S. Chekmarev, M. Zhao, S. A. Rice
3:20 - Break
3:40 - 218. Ferroelectric ice crystal grown on Pt(111) with sum frequency generation. G. A. Somorjai, X. C. Su, L. Lianos, Y. R. Shen
4:20 - 219. The effect of the substrate morphology on the structure of adsorbed ice and organic acids. R. Naaman, S. Trachtenberg, S. R. Cohen, I. Benjamin

Section D

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry
Particle Formation and Composition

M. Tolbert, Presiding

1:20 - 220. Properties of particles in the stratosphere and troposphere. O. B. Toon
2:00 - 221. Optical and chemical properties of atmospheric aerosols from diode laser and FTIR spectroscopies. R. E. Miller, R. F. Niedziela
2:40 - 222. The mass independent oxygen isotopic composition of atmospheric sulfate aerosols. C. W. Lee, M. H. Thiemens
3:00 - 223. Real-time monitoring of the heterogeneous chemistry of sea salt particles in the atmosphere. K. A. Prather, E. E. Gard, D. S. Gross, B. D. Morrical
3:20 - Break
3:40 - 224. Phase transformations of atmospheric aerosols at low temperatures: From ammonium bisulfate to sulfuric acid. D. G. Imre, J. Xu
4:20 - 225. A new technique for ion nucleation using resonance ionization within supersaturated vapors. D. Kane, M. S. S. El-Shall
4:40 - 226. Transport of small molecules across the liquid/vapor interface of water. R. S. Taylor, D. S. Karpovich, J. L. Daschbach, B. C. Garrett, D. Ray

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

WEDNESDAY EVENING

Section A

Poster Session: Biophysical Chemistry

E. B. Stechel, Presiding

7:00-10:00

227. - Effects of protein dynamics on biological electron transfer. I. Daizadeh, A. A. Stuchebrukhov
228. - The generalized pathway model for electron transfer. P. C. P. de Andrade, J. N. Onuchic
229. - Probing the dynamics of DNA by temperature dependent stokes shift of and intercalated dye. E. B. Brauns, C. J. Murphy, M. Berg
230. - Proton translation in the ion channel gramicidin. A. D. Karger, G. A. Voth
231. - Symmetry and self-assembly of continuum, protein-like heteropolymers. E. Nelson, L. TenEyck, J. N. Onuchic
232. - Vesicles as a means of controlling nanoenvironments in solution. C. F. Wilson, D. T. Chiu, R. N. Zare
233. - Antigen-antibody recognition and binding. L. S. D. Kesavan, C. Cannizzaro, J. D. Evanseck
234. - Density-functional calculations of proton chemical shifts in model peptides and applications to proteins. D. Sitkoff, D. A. Case
235. - The energy landscape of extremozymes. P. E. Provenzano, J. D. Evanseck
236. - Withdrawn.
237. - How fast is the collapse of proteins during folding? J. Chahine, N. D. Socci, J. N. Onuchic
238. - Withdrawn.
239. - Medium effects of a protein matrix on wavelength regulation in bacteriorhodopsin. H. Houjou, M. Sakurai, Y. Inoue
240. - MO calculation of bacteriorhodopsin with all atomic representation. M. Sakurai, K. Koyama, H. Houjou, Y. Inoue, M. Wada, K. Sameshima, J. J. P. Stewart
241. - Molecular dynamics and multivariate analysis study of the protein folding problem for Calmodulin. C. F. Lopez, J. D. Evanseck
242. - Molecular picture of folding of a small alpha/beta protein. F. B. Sheinerman, C. L. Brooks
243. - Nonlocal density functional calculations on the deformability of Fe(II)CO and Fe(III)CN units in small-molecule models of heme proteins. T. Vangberg, D. F. Bocian, A. Ghosh
244. - The reaction coordinates for protein fast-folding mechanism. H. Nymeyer, J. N. Onuchic
245. - Theoretical assessment of protein thermostability. R. Rajamani, J. D. Evanseck
246. - Conformational restriction of cysteine-bound nitric oxide in bovine serum albumin revealed by circular dichroism. B. K. Mohney, R. Leecharoen, G. C. Walker
247. - The effect of volatile anesthetics on phospholipid bilayer vesicles investigated by small angle neutron scattering. C. Y. Ku, C. N. Tam
248. - Probing hydrophobic interactions of surfaces and macromolecules with the atomic force microscope. J. P. Santos, J. G. Forbes
249. - Resonance Raman spectroscopic studies reveal the photoisomerization mechanism of phytochrome. F. Andel, J. T. Murphy, J. C. Lagarias, R. A. Mathies
250. - Resonance Raman studies of heme-CO isotopic complexes of hemoglobin I from Lucina Pectinata. E. Morales, J. Cerda, J. Lopez-Garriga
251. - Resonance Stark effect in the bacterial photosynthetic reaction center. H. Zhou, S. G. Boxer
252. - Scanning electron microscopy and molecular modeling studies of infection stones inhibitors. A. Wierzbicki, J. D. Sallis, G. T. Wierzbicka, C. S. Sikes
253. - A comparison of the excited-state charge transfer dynamics in 7 blue copper proteins from resonance Raman intensities. G. R. Loppnow
254. - Solvent effects on the vibrational properties of thymine and thymidine. S. Eisler, J. Nagendran, S. Zhang, G. R. Loppnow
255. - Vibrational properties of thymine: FT-IR and FT-Raman spectroscopy of 10 isotopic derivatives of thymine. S. Zhang, G. R. Loppnow
256. - Structural studies of plant protective surfaces using scanning force microscopy. J. D. Batteas, D. New, B. Yan, R. E. Stark
257. - Three-dimensional structure of human glutamine synthetase imaged with cryo-electron microscopy. C-H. Kiang, G. Pfluegl, D. Eisenberg
258. - UV-induced photodegradation of bacteriorhodopsin. C. B. Buckman, J. Chen, J. T. Kofron, M. B. Masthay, D. M. Sammeth
259. - Ab initio calculations and ESR studies for monotropic liquid crystals: Structural evidences. M. A. Morsy, A. M. Al-Tawfiq, G. A. Oweimreen
260. - Demonstration a cation-cation complex between lithium ion and manganese(II) ion in water by lithium ion magnetic relaxation dispersion. R. G. Bryant, T. Dinesen
261. - H NMR studies of hemoglobin I from Lucina Pectinata. E. Silfa, M. Almeida, J. Lopez-Garriga, S. Wu
262. - Dynamics of lipid membranes studied by NMR relaxation. A. A. Nevzorov, J. A. Shumway, T. P. Trouard, C. Job, M. F. Brown
263. - Solid state NMR lineshapes of uniaxially oriented samples. A. A. Nevzorov, S. Moltke, J. A. Shumway, M. F. Brown

Section B

Poster Session: Structure and Dynamics at Liquid Interfaces

E. B. Stechel, Presiding

7:00-10:00

264. - Grand canonical monte carlo studies of metal-water interfaces. J. C. Shelley, G. N. Patey, D. N. Berard, G. M. Torrie
265. - The structure of bulk liquid and the liquid-vapor interface of Ga: New development of the pseudopotential quantum monte carlo simulations. M. Zhao, D. S. Chekmarev, S. A. Rice, Z. H. Cai
266. - Vapor-liquid phase equilibria in alkane monolayers physisorbed on a metal surface. J. I. Siepmann
267. - Adsorption kinetics- alcohol ethoxylates at oil/water interfaces. C. J. Rulison, B. Bailey
268. - Alignment of water molecules induced by charged soluble surfactants at air/water and oil/water interfaces. D. E. Gragson, R. A. Walker, G. L. Richmond
269. - Anisotropic scattering of gases by aligned liquid crystal surfaces. E. Waclawik, K. L. Randall, M. C. Goh, D. J. Donaldson
270. - Adsorption of volatile solutes at the air-water interface. E. Bishenden, D. J. Donaldson
271. - A comparison of invasive and non-invasive measurements of the dynamic surface tension in an overflowing cylinder. S. Manning-Benson, R. C. Darton, D. Sharpe, J. Eastoe, C. D. Bain
272. - Degradation of dichlorvos by sonolysis. J. D. Schramm, I. Hua
273. - Femtosecond electron dynamics in aqueous silver iodide colloidal nanoparticles. M. C. Brelle, J. Z. Zhang
274. - Long-range vicinal hydration of macromolecules in aqueous solutions. W. Drost-Hansen
275. - Microsegregation of solute during ice crystallization in polyol aqueous solutions. P. M. Mehl, R. Dancis, J. M. Hey
276. - Non-ideality of surfactant mixtures at surfaces and in micelles. J. D. Hines
277. - Non-Newtonian interfacial fluid dynamics in liquid crystalline Langmuir monolayer phases. D. K. Schwartz, M. L. Kurnaz
278. - A crystal to ripple phase transition in Langmuir-Blodgett multilayers observed at elevated temperatures using atomic force microscopy. D. K. Schwartz, H. D. Sikes
279. - Photoinduced charge separation at interfaces: The transient dc photovoltage technique. S. N. Smirnov
280. - Proton transfer in Langmuir films. V. B. P. Leite, A. Cavalli, O. N. Oliveira
281. - Ising-like solvent molecule dynamics in electron-transfer. V. B. P. Leite, J. N. Onuchic
282. - Soft landing of ions to recreate aqueous-solid interfaces. J. P. Cowin, M. J. Iedema, A. Tsekouras
283. - Adsorption at solid/solution interface. M. F. Paige, M. C. Goh
284. - Progress towards controlling the dynamics of organic molecules at the liquid-solid interface. H. Fang, D. M. Cyr, G. W. Flynn
285. - Scanning tunneling microscopy of functionalized hydrocarbons at the liquid-solid interface: Voltage dependence of image contrast. L. C. Giancarlo, D. M. Cyr, K. J. C. Muyskens, S. M. Rubin, G. W. Flynn
286. - Displaced metal surface sum frequency spectroscopy of adsorbates at the mica/liquid interface. A. M. Briggs, E. W. Usadi, P. B. Davies
287. - Polarity of interfaces between two immiscible fluids. H. Wang, K. B. Eisenthal
288. - SFG (sum frequency generation) studies of hydrogen bonding surfaces: Glycerol/water and H₂SO₄/H₂O mixtures. S. Baldelli, D. J. Campbell, C. S. Schnitzer, M. J. Shultz

Section C

Poster Session: Self-Assembling Thin Film Materials
Techniques

A. L. Plant, Organizer, Presiding
M. Tarlov, Organizer, Presiding

7:00-10:00

289. - Characterization of self-assembled supported hybrid trilayers containing ion-channel polypeptides. J. Ha, I. Fritsch
290. - Fluorescence studies on micelles of chlorpromazine hydrochloride. N. R. Brandstater, S. Tehrani, Y. D. Saito, P. K. Dea
291. - Labeled aryl-and alkanethiols for monolayer characterization. J. B. Schlenoff, R. Kolega, H. Ly, M. Li
292. - Layer by layer imaging of diblock copolymer films. D. H. Adamson, C. K. Harrison, M. Park, P. M. Chaikin, R. A. Register, N. Yao
293. - Near-field scanning optical microscopy of phospholipid monolayers. S. Cordero, K. D. Weston, S. K. Buratto
294. - Probing and manipulating molecular interactions at organosulfur-based monolayer assemblies on gold surfaces. C. J. Zhong, S. S. Wong, G. B. Dawson, M. D. Porter
295. - Redox property of cytochrome c at the self-assembled monolayers of promoter and barrier molecules: Electrochemical and electrochemical quartz crystal microbalance studies. Y. Sato, F. Mizutani
296. - Study of cleavage of disulfides in the self-assembled monolayer on Au (111) by scanning probe microscopies. T. Ishida, S. Yamamoto, W. Mizutani, M. Motomatsu, H. Tokumoto, H. Hokari, K. Yagi, H. Azehara, U. Akiba, M. Fujihira
297. - Studies of molecules at self-assembled surfaces via nonlinear optics. T. P. Petralli-Mallow, A. L. Plant, J. M. Hicks
298. - Sum-frequency generation studies of self-assembled systems using multi-channel detection. A. P. Shreve, A. N. Parikh, A. S. Eberhardt, B. I. Swanson, R. B. Dyer
299. - Surface plasmon resonance characterization of self-assembled gold colloid monolayers and multilayers. A. L. Lyon, M. D. Musick, M. J. Natan
300. - UV labels for self-assembled monolayers. R. Kolega, J. B. Schlenoff

Section D

Poster Session: Self-Assembling Thin Film Materials
Self-Assembling Multilayers

A. L. Plant, Presiding
M. Tarlov, Presiding

7:00-10:00

301. - Angle-resolved photoacoustic spectroscopy as a probe for orientation in thin organic films. G. J. Simpson, K. L. Rowlen
302. - A "chimie douce" synthesis of high dielectric thin films from layered perovskites. P. J. Ollivier, M-M. Fang, C-H. Kim, T. E. Mallouk
303. - Connections between 2- and 3-D self-assembly: N-alkylsiloxane networks. D. L. Allara, K. Seshadri, K. Froyd, E. Koo, T. Courtney, A. N. Parikh
304. - Construction of semiconductor nanoparticle layers on gold by self-assembly technique. B. Ohtani, T. Nakanishi, K. Uosaki
305. - Electrical properties of self-assembled BLMs on metal/hydrogel supports. A. L. Ottova, H. T. Tien
306. - Engineering hydrogen-bonded layers in the organic solid state. J. C. MacDonald, M. C. Etter
307. - Engineering layers in molecular solids. G. T. R. Palmore, M. T. McBride
308. - Formation of polyimide thin films on silicon surface by ionic self-assembly multilayer technique. Y. Liu, R. O. Claus, S. Gartner, R. M. Davis
309. - Lamellar electron transfer composites prepared by inorganic self-assembly. S. A. Johnson, M. I. Khan, S. W. Keller, Z. D. Popovic, J. L. Goodman, T. E. Mallouk
310. - Left- and right-handed tubule intermediates from a pure chiral phospholipid. B. N. Thomas
311. - Tailoring of phospholipid tubule dimensions for applications. B. N. Thomas
312. - Nonlinear optical accordion polymers in heterolayer Langmuir-Blodgett-Kuhn film. M. J. Roberts, J. D. Stenger-Smith, R. A. Hollins, A. P. Chafin, G. A. Lindsay
313. - Nonlinear optical films from alternating polycation and polyanion aqueous solution deposition. G. A. Lindsay, M. J. Roberts, P. Zarras, R. A. Hollins, J. D. Stenger-Smith, A. P. Chafin, R. Yee, K. J. Wynne
314. - Photophysical study of binary dye films designed for biomimetic light harvesting applications. P. G. Van Pattern, D. W. McBranch, V. I. Klimov, D. Li, R. J. Donohoe
315. - Pre-polymerized analogs of self-assembled monolayers exhibit stratified structures. W. Wang, G. Mao, D. W. Grainger, D. G. Castner
316. - XPS characterization of sulfur in alkanethiols on gold. D. W. Grainger, D. G. Castner
317. - Miscibility and microstructure in binary mixed films of perfluorocarbon and hydrocarbon surfactants. D. W. Grainger, C. Bouchez, W. Schief, V. Vogel
318. - Interactions of protein mutants with surfaces of self-assembled monolayers. G. Mao, D. W. Grainger
319. - Preparation of mesoporous silica films from silica-surfactant mesostructured materials. M. Ogawa
320. - Raman and FTIR spectroscopy of layered structures formed from alkylsilanes bonded onto self-assembled monolayers of (3-mercaptopropyl) trimethoxysilane on Ag. M. Cai, M. Ho, J. Pemberton
321. - Self-assembled polymer-surfactant systems. J. C. Kotz, S. E. Friberg
322. - Self-assembled multilayer structures as spacer layers for chromophore to high temperature superconductor energy transfer studies. J. T. McDevitt, S. M. Savoy, P. Kambhampati, A. Campion
323. - Infrared characterization of spontaneously adsorbed monolayers on YBa2Cu307. J. T. McDevitt, J. E. Ritchie

Section E

Poster Session: Self-Assembling Thin Film Materials
Biomolecular Assemblies

A. L. Plant, Presiding
M. Tarlov, Presiding

7:00-10:00

324. - Effects of chain-matrix architecture on receptor-protein interactions. A. N. Parikh, A. S. Eberhardt, B. I. Swanson, C. W. Meuse, V. Silin, A. L. Plant
325. - Electrochemical characterization of DNA-containing monolayers. A. B. Steel
326. - Electron transfer of yeast cytochrome C immobilized on SAM modified gold electrodes. J. M. Wallace, A. El Kasmi, D. S. Cohen, G. J. Pielak, E. F. Bowden
327. - Hydrogen-bonded molecular recognition of DNA by porphyrins. V. Ruta, C. M. Drain
328. - Measurements and modeling of biopolymer film formation and molecular interpenetration at solid/liquid interfaces. K. A. Peterlinz, J. R. Rahn, R. M. Georgiadis
329. - Molecular orientation and morphology in vacuum deposited films of perylene dyes determined by fluorescence, FTIR, and scanning probe. A. S. Back, B. Schilling, P. L. Edmiston, S. S. Saavedra, N. R. Armstrong
330. - Molecular orientation distributions in site-directed immobilized protein films. L. L. Wood, P. L. Edmiston, S. S. Saavedra
331. - Self-assembled monolayers used for directed cell placement. T. W. Schneider, J. M. Dumm, D. Kelly, P. Manos, J. J. Hickman
332. - Surface-tethered single stranded DNA oligonucleotides - structure and hybridization activity. R. Levicky, T. M. Herne, A. B. Steel, M. Tarlov
333. - Synthesis and characterization of self-assembled monolayers (SAMs) of alkylated 3,6,9,12,15,18-hexaoxathiols on gold (Au). D. J. Vanderah, C. W. Meuse, V. Silin, A. L. Plant
334. - Unusual octasubstituted phthalocyanine thin film assemblies: Spectroelectrochemical and scanning probe microscopic characterization. P. E. Smolenyak, E. J. Osburn, S-Y. Chen, D. F. O'Brien, N. R. Armstrong

Section F

Poster Session: Self-Assembling Thin Film Materials
Molecular Organization

A. L. Plant, Presiding
M. Tarlov, Presiding

7:00-10:00

335. - Characterization of large porphyrin arrays. F. Nifiatis, C. M. Drain, A. Couzis, A. Vasenko
336. - Efficient synthesis of meso substituted porphyrins by reactions in the gas phase. X. Gong, C. M. Drain
337. - Electrochemical control of self-assembly: From nanometers to centimeters. N. L. Abbott, B. S. Gallardo, L. Jong, V. K. Gupta
338. - Formation of self-assembled porphyrin arrays in 1-, 2-, & 3- dimensions. C. M. Drain, X. Shi, X. Gong, F. Nifiatis, V. Ruta, A. Vasenko
339. - High resolution optical microscopy of organic chromophores: From single molecules to aggregates to thin films. K. D. Weston, S. Cordero, G. M. Credo, S. K. Buratto
340. - Influence of tail group hydrogen bonding interactions on the stabilities of self-assembled monolayers. G. J. Leggett, E. Cooper
341. - In situ STM observation of self-assembly process of decanethiol on gold(111) in solution. K. Uosaki, R. Yamada
342. - Molecular level control of the surface properties of high-Tc superconductor materials. J. E. Ritchie, J. T. McDevitt, R-K. Lo
343. - Reversible self-assembly of analyte-selective bis-benzamidine monolayers on thiol modified gold wafers. F. Auer, A. Swietlow, T. Arnebrant, K. Unger, B. Sellergren, D. Schubert, M. Stamm, M. Zizlsperger, W. Knoll
344. - Self-assembled mercaptan on mesoporous silica for mercury separation. J. Liu, X. Feng, G. E. Fryxell, X. Chen, M. Gong, L. Wang, K. M. Kemner
345. - The self-assembled monolayer of thio- and dithiocarboxylic acids. Y-T. Tao, S. Pandiaraju, W-L. Lin, L-J. Chen
346. - Simulation of the scanning tunneling microscopy images of peptides adsorbed on graphite by electron density plot calculations. D. Jung, D. K. Seo, J. Ren, M. H. Whangbo
347. - Structures of SAMs and their modification: Unsaturated hydrocarbon thiols on Au(111). F. Schreiber, T. Y. B. Leung, P. Schwartz, P. Fenter, A. Kahn, P. Eisenberger, G. Scoles
348. - Study of the self-assembly of alkanethiols on gold under control of the electrode potential. M. Rohwerder, K. de Weldige, M. Stratmann
349. - Synthesis of 2,6-diacetylylamidopyridine-4-carboxaldehyde. X. Shi, C. M. Drain
350. - Utilizing defects in self-assembled monolayers. A. S. Eberhardt, A. N. Parikh, T. A. Zawodzinski, X. Yang, B. I. Swanson

Section G

Poster Session: Self-Assembling Thin Film Materials
Nanoscale & Patterned Assemblies

A. L. Plant, Presiding
M. Tarlov, Presiding

7:00-10:00

351. - Biomolecular self-assembly for scanning probe immunodiagnostics. V. W. Jones, J. R. Kenseth, J. C. O'Brien, M. D. Porter, C. L. Mosher, E. Henderson
352. - The characterization of an integrated biomembrane/cavity microelectrode system. C. S. Henry, M. P. Nagale, I. Fritsch
353. - Electron coherent oscillations in quantum wells. Y. Dakhnovskii
354. - Fabrication and materials considerations for electrodes with micro and nanometer dimensions. I. Fritsch, M. P. Nagale, C. S. Henry
355. - Impact of redox size and double layer on electrochemistry at nanoband electrodes. M. P. Nagale, I. Fritsch
356. - Metal ion assisted formation of molecular assemblies from diacetylenic phospholipids. A. Singh, M. A. Markowitz, D. B. Puranik
357. - New strategies for the synthesis of luminescent porous silicon using mesoporous frameworks as templates. G. L. Bowden, P. J. Ollivier, J. Kouvetakis, T. E. Mallouk
358. - Photon harvesting and interlayer electron transfer in a self-assembled photochemical pentad. D. M. Kaschak, T. E. Mallouk
359. - Photopatterning of aryl iodide terminated thin films. E. L. Hommel, C. C. Page
360. - Self-assembled monolayers on high T_c cuprate-based superconductors: Structure, reactivity, and potential utility. C. A. Mirkin, F. Xu, J. Zhu, J. E. Ritchie, J. T. McDevitt
361. - Single electron tunneling devices from inorganic self-assembly techniques. B. R. Martin, D. L. Feldheim, M. J. Natan, T. E. Mallouk
362. - SPM study of patterned monolayer assemblies. M. Fujihira, Y. Okabe, U. Akiba
363. - Transient voltage response of dye-coated/high temperature superconductor microbridge devices. S. M. Savoy, C. A. Wells, J. T. McDevitt

Section H

Poster Session: Self-Assembling Thin Film Materials
Applications & Miscellaneous

A. L. Plant, Presiding
M. Tarlov, Presiding

7:00-10:00

364. - Amplification of the specific binding of avidin to immobilized biotin using liquid crystals. V. K. Gupta, T. B. Dubrovsky, N. L. Abbott
365. - Use of self-assembled monolayers for patterned alignment of liquid crystals on planar and curved substrates. V. K. Gupta, N. L. Abbott
366. - Control of electrochemical characteristics by cis/trans isomerization and redox reaction at a self-assembled monolayer containing both ferrocene and azobenzene groups. T. Kondo, T. Kanai, K. Uosaki
367. - New host molecules for chiral separations. J. T. Lean, J. A. Gavin, T. E. Mallouk
368. - Synthesis, characterization, and chemical selectivity of self-assembled polydiacetylene/modified calix[4]arene bilayers. D. L. Dermody, R. M. Crooks, T. Kim
369. - Absolute surface density of the amine group of the aminosilylated thin layers: UV-vis spectroscopy, ellipsometry, and second harmonic generation study. J. H. Moon, J. H. Kim, J. H. Hahn, J. W. Park
370. - Covalent attachment of oligosaccharides to preformed self-assembled monolayers. X. Yang, L. A. Silks, A. N. Parikh, A. S. Eberhardt, P. J. Unkefer, B. I. Swanson
371. - Designed mesoporous material: Self-assembly of silicate and rigid bolaform surfactants. Q. Huo, J. Feng, G. D. Stucky
372. - Fabrication of cholesterol and uric acid sensors using enzymes immobilized on a self-assembled monolayer of cystamine and artificial redox agents as electron mediators. S. Kuwabata, T. Nakaminami, S. Ito, H. Yoneyama
373. - A family of high order, surface area, and hydrothermal stability mesoporous materials templated by nonionic polyethylene oxides. D. Zhao, Q. Huo, J. Feng, B. F. Chmelka, G. D. Stucky
374. - Infrared ellipsometric and electrochemical scanning tunneling microscopy study of the factors affecting the corrosion prevention of Au with organomercaptan self-assembled monolayers. F. P. Zamborini, R. M. Crooks
375. - Ordered monolayers on Au(111) formed by gas- and liquid-phase deposition of thiophene, methanethiol, and benzeneselenol: Understanding the chemisorption mechanism. M. H. Dishner, J. Hemminger, F. J. Feher
376. - Photocatalysis by monolayers and nanoscale constructs. G. B. Saupe, Y. Han, C. C. Waraksa, W. Kim, R. H. Schmehl, T. E. Mallouk
377. - Synchrotron-radiation photoelectron spectroscopic study of aminosilylated and an aromatic imine-derivatized molecular layers. J. W. Park, J. H. Moon, K-J. Kim, T-H. Kang, B. Kim, C-H. Kim

THURSDAY MORNING

Section A

Biophysical Chemistry
Solid State NMR in Biological Systems

S. J. Opella, Presiding

8:20 - 378. Bubbling NMR polarization onto surfaces and into solution. A. Pines
9:00 - 379. Magnetic relaxation dispersion of ionic solutes. R. G. Bryant, S. Wagner, T. Dinesen
9:40 - 380. A lyophilized enzyme is active: Early reaction intermediates are discovered by solid-state NMR. D. R. Studelska, L. M. McDowell, M. P. Espe, C. A. Klug, J. Schaefer

Section A

Biophysical Chemistry
EPR in Biological Systems

S. J. Opella, Presiding

10:40 - 381. EPR investigations of the adenosylcobalamin-dependent enzymes glutamate mutase and ribonucleoside triphosphate reductase. G. J. Gerfen, H. Bothe, S. Licht, D. J. Darley, S. P. J. Albracht, J. Stubbe, B. T. Golding, W. Buckel
11:20 - 382. Investigating protein structure and dynamics with site-directed spin labeling. C. Altenbach, W. L. Hubbell

Section B

Dynamics in Molecular Systems
Intra-Inter-molecular

T. Zwier, Presiding

8:20 - 383. Theoretical treatment of hydrogen transfer processes. M. Z. Zgierski
9:00 - 384. Dynamics of the reaction N(²D) + H₂ -> NH + H. L. G. Pederson, G. Lendvay, G. C. Schatz, T. Hollebeek, T. S. Ho, H. Rabitz, L. B. Harding
9:20 - 385. Ab initio molecular dynamics around a conical intersection. T. J. Martinez
9:40 - 386. The role of total angular momentum in IVR-mediated vibrational predissociation. S. K. Gray, E. M. Goldfield
10:20 - Break
10:40 - 387. State-to-state intramolecular dynamics of HOCl. M. R. Wedlock, R. Jost, T. R. Rizzo
11:20 - 388. An unzipped spectrum. R. W. Field, J. P. O'Brien, M. P. Jacobson, J. Sokol, R. Duan

Section C

Structure and Dynamics at Liquid Interfaces

J. Z. Zhang, Presiding

8:20 - 389. Preparation and characterization of Si(111) surfaces modified with covalently attached alkyl chains. N. S. Lewis, A. Bansal, X. Li, M. Lieberman, S. I. Yi, W. H. Weinberg
9:00 - 390. Photosensitization of semiconductor nanocrystallites with dyes: A delicate balance between forward and back electron transfer at the semiconductor interface. P. Kamat, D. Liu
9:40 - 391. Ultrafast electron injection in dye-sensitized TiO2 nanoparticles. N. J. Cherepy, G. Smestad, J. Z. Zhang
10:00 - 392. Ultrafast dynamics of dye molecules adsorbed at semiconductor particle surfaces. G. V. Hartland, I. Martini, J. Hodak, P. Kamat
10:20 - Break
10:40 - 393. Charge carrier dynamics at semiconductor-liquid interfaces. A. Meier, R. J. Ellingson, D. Selmarten, B. B. Smith, O. I. Micic, A. J. Nozik
11:20 - 394. A fully polarizable molecular dynamics model for electron transfer across the electrode/electrolyte interface. A. W. Calhoun, G. A. Voth
11:40 - Discussion

Section D

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry
Heterogeneous Chemistry on Ice and Acids

M. S. Robinson, Presiding

8:20 - 395. Heterogeneous kinetics in the lab and the atmosphere: Acid solution. D. R. Worsnop, J. T. Jayne, G. N. Robinson, C. E. Kolb, E. Swartz, O. Rattigan, Q. Shi, P. Davidovits
9:00 - 396. Molecular beam studies of reactions at the gas-liquid interface. J. R. Morris, M. D. Antman, G. M. Nathanson
9:20 - 397. Interaction of atmospheric acids with ice. M. A. Zondlo, S. B. Barone, M. A. Tolbert
9:40 - 398. Studies of tropospheric NOy and halogen heterogeneous chemistry. J. P. D. Abbatt
10:20 - Break
10:40 - 399. Effect of HCl and HNO₃ on H₂O isothermal desorption kinetics from single-crystal ice multilayers. F. E. Livingston, S. M. George
11:00 - 400. Measurements of HCl adsorption isotherms on H₂O ice from 180K to 200K at near stratospheric pressures. B. F. Henson, K. R. Wilson, D. R. Worsnop, J. L. Casson, C. Noble, J. M. Robinson
11:20 - 401. Interaction and reaction of hydrogen halide on ice films. L. T. Chu
11:40 - 402. The heterogeneous uptake of iodine compounds on salts, ice and liquid sulfuric acid surfaces. J. A. Davies, R. A. Cox

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

THURSDAY AFTERNOON

Section A

Biophysical Chemistry
Solution NMR

E. Oldfield, Presiding

1:20 - 403. Measurement of ¹H¹³C and ¹⁵N chemical shift anisotropy in proteins. N. Tjandra, M. Ottiger, A. Bax
2:00 - 404. Solution NMR structure of co-ligated glycera dibranchiata monomer hemoglobin component IV. J. D. Satterlee, B. F. Volkman, S. L. Alam, J. L. Markley
2:40 - 405. NMR structures of proteins involved in signal transduction. S. W. Fesik

Section A

Biophysical Chemistry
Biophysical Theory

E. Oldfield, Presiding

3:40 - 406. Thermodynamic aspects of protein folding. C. L. Brooks, F. B. Sheinerman, Z. Guo, Y. Nochomovitz
4:20 - 407. Solvation effects on protein folding, binding, and design: Exploring the electrostatic balance. B. Tidor

Section B

Dynamics in Molecular Systems
Reaction Dynamics and Control

T. J. Martinez, Presiding

1:20 - 408. Mapping the reaction coordinate using vibrationally excited reactants. J. J. Valentini
2:00 - 409. Vibrational mode coupling and solvent orientational effects in intra- and inter-molecular electron transfer in solution. C. Wang, G. C. Walker
2:20 - 410. Control over a vibrational excitation process in solution: Vibrational up-pumping of W(CO)6 with chirped IR pulses. V. D. Kleiman, S. M. Arrivo, E. J. Heilweil
2:40 - 411. Mode specificity in bimolecular and unimolecular reactions. J. M. Bowman
3:20 - Break
3:40 - 412. Altering the course of molecular dynamics. H. Rabitz
4:20 - 413. The effect of resonances on the coherent control of the ionization and dissociation of HI and DI. L. Zhu, K. Suto, J. A. Fiss, R. Wada, R. J. Gordon

Section D

Homogeneous and Heterogeneous Processes in Atmospheric Chemistry
Heterogeneous Chemistry on Ice and Acids

V. Grassian, Presiding

1:20 - 414. Chemistry at the surfaces of the model stratospheric cloud particles. J. T. Roberts
2:00 - 415. Ab initio model study of the mechanism of ClONO₂ hydrolysis on ice. R. Bianco, J. T. Hynes
2:20 - 416. Low temperature reactions of NO₂ with amorphous and crystalline ice. J. Wang, B. E. Koel
2:40 - 417. Probing the roughness of vapor-deposited water-ice films using grazing angle FTIR-reflection absorbance spectroscopy. M. S. Robinson, G. Mallick, J. L. Spillman, R. M. deGroot
3:00 - 418. Reactions on ice: Is there a "liquid-like" layer on the surface? C. J. Pursell
3:20 - Break
3:40 - 419. Kinetics of the gas phase reactions of SO₃ with H₂O and NH₃. E. R. Lovejoy, D. R. Hanson, L. G. Huey
4:20 - 420. Spectroscopic studies of the homogeneous and heterogeneous production of nitrous oxide. L. M. Wingen, J. P. Stutz, B. J. Finlayson-Pitts

4:40 - Discussion

Section E

Self-Assembling Thin Film Materials

See Materials Secretariat

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