A. C. Balazs, Organizer, Presiding
J. F. Rabolt, Organizer
9:00 1. Dielectric properties of colloid-modified and nanostructured metal films. A. L. Lyon, M. D. Musick, M. J. Natan
9:20 2. Construction and properties of colloidal Au layers linked by biomolecules and bifunctional crosslinkers. M. D. Musick, L. A. Lyon, G. P. Goodrich, S. L. Botsko, M. J. Natan
9:40 3. DSC-measurements of polyelectrolyte/phospholipid multilayers on polystyrene latex particles. M. Auch, S. Moya, H. Mohwald
10:00 4. Direct force measurements between colloidal particles by Langmuir latex method. P. Banerjee, A. M. Mayes, J. Iyer, P. T. Hammond
10:20 Break
10:40 5. A novel method to determine the mechanical properties of ultra-thin films. C. C. White, W-L. Wu
11:00 6. The effect of polymer substrate surface basicity on the adsorption of a cationic polyacrylamide. A. P. Angelopoulos, L. J. Matienzo, J. B. Benziger
11:20 7. Interdiffusion in microlayers of linear and branched polyethylene. E. Stepanov, T. Schuman, S. Nazarenko, S. Magonov, A. Hiltner, E. Baer
G. L. Richmond, Organizer
T. J. Zielinski, Organizer, Presiding
8:15 Introductory Remarks - Theresa Zielinski
8:20 8. Modernizing the physical chemistry courses: A look at the past, the present, and the future. R. W. Schwenz
8:50 9. The phase problem of X-ray crystallography. H. A. Hauptman
9:20 10. Molecular dynamics simulations of water, simple solutions and complex biological molecules. M. Levitt
9:50 11. Force fields, vibrational frequencies, and solvent effects on the frequency shifts from hybrid QM/MM simulations. J. Gao, C. Alhambra, K. Byun
10:20 Break
10:40 12. Active learning in the quantum chemistry course. J. C. Wright
11:10 13. Emulating the research process in the classroom. D. M. Hanson
11:40 14. Environmental chemistry and the one-room schoolhouse: Using research literature in the physical chemistry curriculum. E. L. Harvey, R. J. Sweeney
Methods for Protein Structure Prediction
R. A. Friesner, Organizer, Presiding
8:15 Introductory Remarks - Richard Friesner
8:20 15. An adaptive multi-level framework for protein structure modeling. J. R. Gunn
9:00 16. Ab initio protein structure prediction using insights from experimental studies of protein folding. D. Baker, K. Simons, D. Shortle, C. Bystroff, I. Ruczinski
9:40 17. Genetic algorithms for determining protein structure. J. Moult, J. T. Pedersen, S. Gregurik
10:20 Break
10:40 18. New method for the prediction of protein structure from sequence. J. Skolnick, A. Kolinski, A. R. Ortiz
11:20 19. Prediction of conformational heterogeneity of protein sidechains with SCWRL. R. L. Dunbrack
R. J. Madix, Organizer, Presiding
G. Brown, Organizer
8:20 20. Molecular engineering of supported metal oxide catalysts. I. E. Wachs
9:00 21. Structure and catalytic properties of dispersed vanadia. A. T. Bell, E. Iglesia, A. Khodakov, J. Yang, S. Su, B. Olthof
9:40 22. Growth of vanadium oxide on single crystal alumina. R. J. Madix, J. Biener, M. Baeumer
10:00 23. Electronic structure of vanadium and vanadia on TiO2(110). R. J. Madix, J. Biener, A. Dinger, N. Price
10:20 Break
10:40 24. Ordered binary oxide films: V203(0001)/Al2O3/Mo(110). D. W. Goodman, Q. Guo, D-Y. Kim, S. C. Street
11:20 25. Site selective reactions on thin-film oxides of Mo(110). C. M. Friend, K. T. Queeney, D. A. Chen, P. Clark
A. C. Balazs, Organizer, Presiding
J. F. Rabolt, Organizer
2:00 26. Hydrophilic surface modification of polymer membranes via surface segregation. J. F. Hester, A. M. Mayes
2:20 27. Hydrolytic stability of poly(ethylene glycol) organosilane monolayers. D. W. Conrad, D. A. Nivens, W. B. Lacy, S. D. Balderson
2:40 28. Kinetics and thermodynamics in immobilized DNA films by surface plasmon resonance spectroscopy. R. M. Georgiadis, A. W. Peterson, K. A. Peterlinz, J. H. Teuscher
3:20 Break
3:40 30. PMIRRAS study of AChE secondary structure behavior at the air/water interface and its interaction with a substrate or inhibitor. L. Dziri, B. Desbat, R. M. Leblanc
4:00 31. Thermorheological complexity of highly filled EPDM elastomer. J. G. Matisons, M. Ginic-Markovic, N. K. Dutta, N. R. Choudhury, M. Dimopoulos
G. L. Richmond, Organizer, Presiding
T. J. Zielinski, Organizer
1:25 32. Shaking up the physical chemistry curriculum: Looking at the back of the book first with the help of information technology and progressive pedagogy. T. J. Zielinski
1:50 33. Do undergraduate students need to know how to run ab initio molecular orbital calculations? J. B. Foresman
2:20 34. Nonlinear chemical dynamics in the physical lab and lecture. J. A. Pojman
2:50 35. Intersystem crossings - getting the laboratory into the lecture. B. A. DeGraff
3:20 Break
3:40 36. Exploring concepts in the physical chemistry classroom. C. Dybowski
4:10 37. Gases, polymers, and dyes. M. H. Towns, G. Weaver, R. Stout, G. Long, D. Sauder, G. Shalhoub, T. J. Zielinski
4:40 38. An investigation of the factors influencing performance in physical chemistry. G. Nicoll, J. S. Francisco
Methods for Protein Structure Prediction
R. A. Friesner, Organizer, Presiding
1:20 39. 3D fold assignments of genome sequences. D. Eisenberg, M. J. Thompson, R. Grothe, D. Fischer, D. W. Rice, R. Weiss
2:00 40. Protein fold recognition and functional assignment based on physical chemical principles. B. Honig
2:40 41. Learning from evolution to predict protein structure. B. R. Rost
3:20 Break
3:40 42. Computational methods for predicting protein tertiary structure. R. A. Friesner
4:10 43. Computer simulation of protein folding. M. Levitt
4:40 44. Protein fluctuations during catalysis: a DHFR dynamics study. J. L. Radkiewicz, C. L. Brooks III
R. J. Madix, Organizer
C. M. Friend, Presiding
2:00 45. Growth and epitaxial studies of nanometer Au islands on TiO2(110). T. E. Madey, L. Zhang, F. C. Cosandey
2:40 46. Calorimetric measurements of metal adsorption and adhesion energies on clean, single-crystalline oxide surfaces. C. T. Campbell, J. T. Stuckless, D. Bald, D. Starr, J. Musgrove
3:20 Break
3:40 47. First principles characterization of the alumina/zirconia interface. A. Christensen, E. A. Carter
4:00 48. Fundamental studies of the reactivity of Rh particles supported on ceria single crystals and thin films. J. M. Vohs, R. J. Gorte, E. S. Putna, R. Ferrizz
4:40 49. The geometric, electronic and magnetic properties of oxide surface using first principles solid state quantum mechanical methods. A. C. Hess
Physical Properties of Polymeric Materials and Molecular Thin Films
G. L. Richmond, Organizer, Presiding
7:00-9:00
29. Surface analysis of radiation-grafted films and ion-exchange membranes. H-P. Brack, M. Wyler, B. Schnyder, G. Peter, G. G. Scherer
50. Studies of metal-polymer interfaces: competitive adsorption between oxygen and nitrogen containing functionality in copolymers onto metal. D. H. Kim, W. H. Jo, S. C. Kim
51. Effect of finite sample thickness on film elasticity determination using atomic force microscopy. B. B. Akhremitchev, G. C. Walker
52. A model for the second hyperpolarizability in alternating polymers. L. F. Murga, M. J. Ondrechen
53. Oscillation of membrane potential and recognition of ions in immobilized DNA membranes. T. Imizu, M. Hara, A. Higuchi
54. Triplet yield studies of platinum porphyrins dissolved in polymer films. L. M. Coyle, M. Gouterman
55. Dendritic adlayers from focally substituted dendritic thiols - structure and permeability. C. B. Gorman, R. L. Miller, K-Y. Chen
56. Structure of self-assembled polyelectrolyte multilayer thin films. C. J. Barrett, A. M. Mayes, M. F. Rubner
57. Organic/inorganic composites for thin film applications: sol-gel processes constrained by high surface evaporation conditions. G. Puccetti, R. M. Leblanc
58. Influence of the microscopic dimensionality of a sol-gel on the properties of organic dopants. R. M. Leblanc, G. Puccetti
59. Nanostructure of polymer and functionalized monolayers on water surface studied by X-ray reflectometry. H. Yamaoka, H. Matsuoka, K. Kago, R. Yoshitomi, M. Fürst, H. Endo
60. A precision capacitance cell for measurement of thin film out-of-plane expansion. C. Snyder, F. I. Mopsik
61. Nanocomposite films of gold particles and polymers. J. Schmitt, G. Decher, C. Helm, H. Mohwald, D. Eck, P. Machtle
62. Modeling the interactions between organically modified clay surfaces and polymer melts. C. Singh, E. Zhulina, A. C. Balazs
63. Di-block copolymer adsorption at liquid/liquid interfaces. D. E. Gragson, J. Jensen, S. M. Baker
64. Formation mechanism of n-octadecyltrichlorosilane monolayer prepared by Langmuir method. K. Kojio, A. Takahara, T. Kajiyama
65. Mechanical processing and friction measurements of Langmuir-Blodgett films by atomic force microscopy. M. Fujihira, S. Okamoto
66. Molecular dynamics simulations of friction in ordered organic monolayers. T. Ohzono, J. N. Glosli, M. Fujihira
67. Effect of difference in chain length of asymmetrical disulfides of hydrocarbon and fluorocarbon on wettabilities of their self-assembled monlayers on Au(111). H. Azehara, H. Hokari, U. Akiba, W. Mizutani, T. Ishida, H. Tokumoto, M. Fujihira
68. A new self assembled monolayer system which grows on hydroxylated oxide surfaces. J. H. Gutow, B. H. Koeck
69. Nonfreezing water associated with crystalline cellulose. S. Kuga, M. Matsuyama, T. Okano
70. Dynamic light scattering and demixing of polystyrene/methylcyclohexane solutions under pressure (0.1<P/MPA<200). W. A. Van Hook, H. Wilczura, L. Rebelo
71. The relation between the rotator phases of bulk N-alkanes and those of Langmuir monolayers. E. B. Sirota
72. Monolayers made from a combination of DPPC with a mixed fluorocarbon/hydrocarbon amphiphile. M. P. Krafft, Q. Huo, S. Vidon, R. M. Leblanc, F. Giulieri
73. Potential biomedical applications of colloidal systems with fluorocarbon/hydrocarbon diblocks components. J. G. Riess, M. P. Krafft
237. Sticker group effects on dynamic copolymer-solid adhesion. I. Lee, R. P. Wool
Physical Chemistry: Taking the Research to the Students
G. L. Richmond, Organizer, Presiding
7:00-9:00
76. Imaging the iodine modification of Au(111) using a Burleigh Instructional STM. P. J. Pinhero, P. A. Thiel
77. Bringing surface chemistry research into the physical chemistry classroom. D. A. Phillips
78. Corrective feedback and cooperative education hybrid method in the university classroom. J. D. Evanseck, D. Puebla
79. Pedagogical techniques in the university chemistry classroom: corrective feedback and interdependent cooperative education. D. Puebla, J. D. Evanseck
80. Kinetics and thermodynamics of Au colloid monolayer self-assembly: undergraduate experiments in surface and nanomaterials chemistry. C. D. Keating, M. D. Musick, M. H. Keefe, M. J. Natan
81. Simple solutions to complex chemical problems: Maple V-assisted physical chemistry. M. V. Scarlete, J. Fox, R. Quinn, A. McCubbin
82. No kidding! Strong electrolytes are only partially dissociated in aqueous solutions at all concentrations as Arrhenius supposed! R. Heyrovska
Biophysical Chemistry
G. L. Richmond, Organizer, Presiding
7:00-9:00
83. Optimizing potentials for the inverse protein folding problem. T. L. Chiu, R. A. Goldstein
84. Dissecting the amide I mode of a helical peptide via isotopic labeling. S. M. Decatur, J. Antonic
85. Density-functional theory study of the vibrational spectra of polyenes. C-C. Tsoo, B-Y. Jin, T-C. Weng
86. Vibrational contributions to nonlinear optical suceptibilities of polymethines. B-Y. Jin, C-C. Tsoo
87. A self-consistent version of quasidegenerate perturbation theory. M. R. Hoffmann, Y. G. Khait
88. Efficient and accurate relativistic all-electron approximations. K. G. Dyall
89. Novel heteraromatic boron-nitrogen monocycles: geometries and stabilities. R. J. Doerkson, A. J. Thakkar
90. Exploring phase equilibria of complex fluids by Monte Carlo simulations. J. I. Siepmann, M. G. Martin, B. Chen, N. D. Zhuravlev
91. Thermochemistry of heavy metal binding by cyanobacterial polysaccharide. J. E. Mihalick, W. P. Griffiths III, M. W. Copeland, R. A. Belling, J. E. Muten, T. A. Olson, K. Gehrke, D. VanderGalien, J. Beaulieu
92. Prions as isomer [DOi-j] groups of topological mechanics. O. Gurel, D. Gurel
93. Ultrafast transient absorption studies of B12 enzymes and coenzymes. R. J. Sension, L. A. Walker II, J. J. Shiang
94. Amine binding and oxidation at the catalytic site for photsynthetic oxygen evolution. B. A. Barry, A. J. Ouellette, L. B. Anderson
95. The relevance of local conformational constraints in protein structure prediction. P-J. L'Heureux, J. R. Gunn
96. Submillisecond folding kinetics of ubiquitin. J. Ervin, J. Sabelko, M. Gruebele
97. Ultrafast folding dynamics of yeast phosphoglycerate kinase. J. Sabelko, J. Ervin, M. Gruebele
98. Rotational relaxation dynamics of chromophore inclusion complexes with cyclodextrins. N. Balabai, D. H. Waldeck
99. Thermodynamics of coaxially stacked DNA helices. N. Peyret, J. Santalucia
100. Electron spin-lattice relaxation measurement of the 3Fe-4S(S-3) cluster in succinate:ubiquinone reductase from Paracoccus Denitrificans. S. C. Hung, C. V. Grant, A. R. Waldeck, H. K. Lee, R. D. Britt, S. I. Chan
101. Multigranular molecular dynamics simulations of bacteriorhodopsin. M. Watanabe, H. E. Alper, K. Soosaar, H. M. Chun, R. Pachter, D. B. Holts, B. L. Farmer
102. Ultrafast dynamics of microconfined liquids. J. T. Fourkas, B. J. Loughnane, R. Farrer
103. A mean force potential for protein side-chain rotamer interactions. A. S. Lemak, J. R. Gunn
104. The population dynamics of foldable model proteins. D. M. Taverna, R. A. Goldstein
105. Optimized substitution matrices for protein sequence comparisons. M. W. Dimmic, S. Narayan, J. M. Koshi, R. A. Goldstein
106. cancelled
107. cancelled
108. Molecular dynamics simulations of the amino-terminal zinc fingers of transcription factor IIIA bound to the cognate DNA. V. Tsui, D. A. Case
109. A consistent generalized Born model for proteins and nucleic acids. B. N. Dominy, C. L. Brooks III
Molecular and SupramolecularPhotochemistry and Photophysics
G. L. Richmond, Organizer, Presiding
7:00-9:00
110. Effects of temperature on the photochemistry and photophysics of 1,3-diphenylpropenes. J. M. Wagner-Brennan, F. D. Lewis, M. A. Miranda, J. Perez-Prieto, E. Font-Sanchis
111. Dipolar properties of HBT and HBO, two ESIPT molecules, determined via electroabsorption: comparison to ab initio and indo/s calculations. L. L. Premvardhan, L. A. Peteanu
112. Synthesis of new glycosylated porphyrins and its photoreduction to chlorin derivatives by ascorbic acid. M. Shibata, T. Kakuchi, T. Takemura, Y. Mikata, S. Yano
113. Electroabsorption measurements of the dipolar properties of OHAP and OHBA and the corresponding non-proton-transfer derivatives: Comparison to ab initio and indo/s calculations. L. A. Peteanu, L. L. Premvardhan
114. Electron paramagnetic resonance study of spin-labeled, alkanethiolate-stabilized gold clusters. E. K. Warmoth, A. C. Templeton, R. W. Murray, M. D. Forbes
115. The ground state proton-transfer tautomer of salicylate anion. Z. Wang, D. M. Friedrich, A. J. Joly, K. A. Peterson
116. Long-range excited state intramolecular proton transfer (ESIPT) in p-hydraxyaryl ketones mediated by water. P. Wan, D. Brousmiche, J. E. Corrie
117. "Abnormal" surface light-induced drift between two plates in a model with boundary conditions. M. A. Vaksman, J. L. Dahl
118. Very efficient photocurrent generation at gold electrodes modified with self-assembled monolayers of porphyrin-ferrocene-thiol linked molecules. K. Uosaki, T. Kanai, M. Yanagida, T. Kondo
119. Detection and characterization of Brĝnsted acid sites within zeolites using dyes as indicators. K. J. Thomas, V. Ramamurthy, V. J. Rao
120. Photocyclodimerization of P-chlorostilbene carboxylate in LDH: A study of the molecular alignment by electric linear dichoism. K. Takagi, R. Sasai, N. Shinya
121. Conformational analysis of the sodium/12-crown-4 complex: photoionization and ab initio molecular orbital studies. T. M. Su, T. S. Yeh
122. Optical signal transduction triggered by protein-ligand binding: detection of toxins using multivalent receptors. X. Song, J. Nolan, B. Swanson
123. Carbene reactions to form a-latones and a-lactams. B. M. Showalter, J. P. Toscano
124. Fluorescence quenching of 13V and 15V bands of CS2 via large magnetic fields. W. N. Sisk, N. Sarkar, S. Ikeda, H. Hayashi
125. Intermolecular energy transfer over a fixed distance: orientation effect. Z. S. Romanova, K. D. Deshayes
126. Recognition sites on fluorescent lipid bilayers for the optical detection of metal ions. D. Y. Sasaki
127. Photoinduced proton transfer reaction of pyranine in aqueous polyvinylpyrrolidone. S. Linares-Samaniego, G. Jones II, X. Qian
128. The first hemicarceplexes that release guests upon irradiation. Water-soluble semicarceplex and hemicarceplex that bind hydrophobic organic molecules. E. L. Piatnitski, K. D. Deshayes
129. Luminescent sensing of heavy metals. M. W. Perkovic, G. Daqing
130. Formation of supramolecular structures by starburst dendrimers and vesicles. M. F. Ottaviani, M. Brustolon, N. J. Turro, S. Jockusch, D. A. Tomalia
131. Electron-transfer within synthetic metalloproteins. M. Y. Ogawa, G. V. Kozlov, R. C. Lasey
132. Effects of bridge energetics on charge separation and recombination rates in aromatic imide-based donor-bridge-acceptor systems. S. E. Miller, E. M. Marsh, W. A. Svec, M. P. Debreczeny, M. R. Wasilewski
133. Singlet-singlet and triplet-triplet energy transfer in trichromophoric molecules. W. G. McGimpsey, W. N. Samaniego, Z. Wang
134. Photochemistry of novel long-chained linear and cyclic diazo initiators. V. P. McCaffrey, M. D. Forbes, J. M. DeSimone
135. The effects of micelles on the photophysical properties of 5,6-benzoquinoline. C. J. Marzzacco, C. Reddy, S. Kadelski, A. M. Halpern
136. Photochemical control of metal-ion binding. M. Alward, C. M. Driscoll, S. G. Weber
137. Effect of geometric conformation and solvation on the short-time photodissociation dynamics of 1-iodoropropane. X. Zheng, D. L. Phillips
138. Photoinduced electron transfer in quinone derivatives of amino acids and peptides. X. Zhou, G. Jones II
139. Photophysics of trioxatriangulenes. N. Harrit, J. Reynisson, B. Laursen, R. Wilbrandt
140. Fluorescent probes for the detection of potassium ions. H-F. Ji, R. Dabestani, G. M. Brown
141. Kinetic measurements in the system Br2 - hexabromoiridate (III, IV). R. J. Hanrahan, C. M. Hoag
142. One-atom caging in photolysis of brute-force aligned Ar-HF clusters. R. J. Hinde
143. Kinetics of the HO2+CLO reaction. L. Blakeley, S. L. Nickolaisen, S. P. Sander
144. Femtosecond photodetachment in solution: electron detachment through direct excitation into the CTTS state of aqueous iodide. S. E. Bradforth, J. A. Kloepfer, V. H. Vilchiz, V. Lenchenkov
145. Photochemical synthesis of fullerene oligomers in solution. K. C. Hwang, Y. L. Hwang
146. Excited state hydrogen bond transfer fluorescence. A. C. Testa
147. Mn+ ion produced in laser multiphotons dissociation of dimanganese decacarbonyl. Y. Hong, W. Wang
148. Gas-phase photodissociation studies of organometallic cations. R. B. Metz
149. Ultrafast photochemistry and relaxation of conjugated molecules in solution. N. A. Anderson, S. H. Pullen, R. J. Sension
150. Generation of carbon-centred Monoaryl radicals in zeolites. W. Ortiz Ojeda, F. L. Cozens, N. P. Schepp, J. A. Pincock
151. Probing the role of non-protic zeolites in carbocation chemistry: generation and reactivity of 9-fluorenyl cations. M. A. O'Neill, F. L. Cozens, N. P. Schepp
152. Electrochemical control of second harmonic intensity of self-assembled monolayers containing trans-ferrocenyl-nitrophenyl ethylene group on gold. T. Kondo, K. Uosaki, S. Horiuchi, I. Yagi, S. Ye
152a. Excitation localization and delocalization in permethylated oligosilanes. H. A. Fogarty, J. Michl, M. K. Raymond, R. Imhof, S. Mazierés
Materials and Surfaces, General
G. L. Richmond, Organizer, Presiding
7:00-9:00
153. In situ observation of self-assembled monolayer dissolution. I. Doudevski, D. K. Schwartz
154. The interband pairing model for high temperature superconductivity. J. K. Perry, J. Tahir-Kheli
155. Femtosecond time-resolved dynamics study of HBr and HBr water clusters. Q. Zhong, L. Poth, J. V. Ford, A. W. Castleman Jr.
156. Investigation into the rotational dynamics of C60 in various organic solvents. A. A. Rodriguez, N. H. Martin, M. Issa
157. Multiphonon dissociation of carbon & niobium clusters cooled in a supersonic expansion. W. Wang, J. G. Eaton, S. B. Deosaran, A. Metin, J. R. Lombardi, D. M. Lindsay
158. Model for inactivation of a metallo-enzyme (a-amylase) in presence of salts: experimental verification of the model. A. Khan, D. N. Lecker
159. Effect of high pressure on the oxygen quenching of the triplet state of 9-acetylanthracene in solution. M. Okamoto, F. Tanaka, S. Hirayama
160. The determination of electron charge for atomic hydrogen using the Rydberg Constant. J. A. Stewart
161. Kinetics and regioselectivity of saturated fatty acids thermoxidation: DSC and GC study. T. Kasprzycka-Guttman, G. Litwinienko
162. Computerized chemical activation analysis: OH + NO2. W. H. Green, D. M. Matheu
163. Energy disposal of SO(X3S-) products from O(3P) + CH3SH reactions. X. Chen, J. Han, B. R. Weiner
164. Development and implementation of an excited state lifetime instrument. R. Rodriguez, T. A. Weers
165. Reactivity of atmospheric plasma ions with aromatic hydrocarbons. R. A. Morris, S. T. Arnold, J. M. Thomas, A. A. Viggiano
166. Interaction energies of acetylcholine with water and benzene. Does a conformational change assist desolvation? Do aromatic residues decrease the barrier to formation of the all-trans conformer? C. A. Deakyne
167. Statistical and nonstatistical dynamics in the unimolecular decomposition of vinyl bromide. R. D. Kay, L. M. Raff
168. Low temperature phase transition in alloy clusters adsorbed on surfaces. M. Ocasio, G. E. Lµopez
169. The effect of surface tension on phase equilibrium. H. Liu
170. Application of neutron scattering in studies of lamellar solids. W. Kagunya, Z. Lei, P. Dutta
171. Deuterium exchange studies with bromobenzoic acids in the presence of homogenous tetrachloroplatinate(II). M. Kanska, R. Kanski
172. Probing the surface of HNO3, HCL, and H2SO4 solutions using sum frequency generation. C. S. Schnitzer, S. Baldelli, D. J. Campbell, M. J. Shultz
173. Effect of RF pulsewidth on temperature and reactant concentration in a parallel plate reactor. B. Phillips, R. Rodriguez, R. J. Hackworth
174. The effects of aggregation and salt co-adsorption on the surface enhanced Raman spectra of 4-,3-, and 2-cyanopyridine adsorbed onto metallic colloids. C. M. Coyle, P. W. Jagodzinski
175. Heterogeneous uptake of SO2, H2S and CO2 by aqueous solutions. Q. Shi, J. Boniface, Q. Y. Li, P. Davidovits, D. R. Worsnop, C. E. Kolb, O. V. Rattigan
176. Scanning tunneling microscopy investigation of the influence of the substrate on monolayer order and molecular image contrast: functionalized hydrocarbons physisorbed on graphite and MoS2. L. C. Giancarlo, G. W. Flynn, H. Fang, S. M. Rubin, A. Avila Bront
177. Corrosion resistance of duplex treated Ti-6A1-4V alloy. K. M. Mazen, B. S. Yilbas
178. On the luminescence mechanism of aged porous silicion: time-resolved FTIR and photoluminescence comparative study. J. Wang, B. Zou, L. Song, M. A. El-Sayed
179. Contrasting the femtosecond charge carrier dynamics in CDS and CDSe nanoparticles. C. Burda, M. A. El-Sayed, T. C. Green, S. Link
180. Uptake of gas phase ammonia by aqueous-aqueous acid solutions. E. Swartz, Q. Shi, P. Davidovits, J. T. Jayne, D. R. Worsnop, C. E. Kolb
181. Probing dopant/sol-gel matrix interactions: influence of network growth factors on the dye properties. S. Wang, G. Puccetti, R. M. Leblanc
182. Rotational analysis of the ring mode vibrational band of oxetane at 908.4 cm-1. M. D. Marshall, B. J. Winn
Nanocomposites, Blends and Thin Films
A. C. Balazs, Organizer, Presiding
J. F. Rabolt, Organizer
9:00 184. The preparation, structure and properties of polymer/clay nanocomposite films. G. S. Ferguson, E. R. Kleinfeld, B. A. MacNeill, H. L. Deak
9:30 185. Multilayer films of copper and silver dendrimer nanocomposites. S. Uppuluri, L. Balogh, D. A. Tomalia
9:50 186. Characterization of nanopores and their dynamics in polymer bulk and thin films by positron spectroscopy. A. F. Yee, D. W. Gidley, A. Faiver
10:20 Break
10:40 187. Simultaneous, isothermal, high sensitivity measurements of mass change and heat flow at a polymer surface upon exposure to gases, using a quartz-crystal microbalance/heat-conduction calorimeter. A. L. Smith, I. Wadso, H. Shirazi
11:00 188. Polymeric films in binary blend interfaces. M. Olvera de la Cruz
11:30 189. Microdomain structure in thin films of ABC-triblock copolymers. G. Krausch, H. Elbs, K. Fukunaga, R. Stadler
G. L. Richmond, Organizer
T. J. Zielinski, Organizer
M. H. Towns, Presiding
8:20 190. Applying JAVA to illustrate physical chemistry concepts. S. Naga, G. Schultz
8:50 191. Where are lasers in the P-Chem lecture course? G. D. Gillispie, R. F. Meidinger
9:20 192. Thermodynamics, calculus, and environmental science. L. J. Soltzberg
9:50 193. Including a Gaussian94 segment in the undergraduate quantum chemistry course. B. L. Earl, K. A. Robins
10:20 Break
10:40 194. Active learning through small group projects in physical chemistry. L. C. Brazdil
11:10 195. The physical chemistry of vision. L. L. Comeford
11:40 196. "Yet who would have thought the old man to have had so much blood in him?" - Thermochemistry in the 90's. R. J. Olsen
12:10 197. Homework problems from the literature. C. J. Giunta, C. A. Trapp
R. J. Madix, Organizer
G. Brown, Organizer
C. T. Campbell, Presiding
8:20 198. Surface structure determination of MBE grown iron and manganese oxides. S. A. Chambers
9:00 199. Sites and mechanisms for C-C bond formation on metal oxide and suboxide surfaces. M. A. Barteau
9:40 200. Probing the effect of surface reduction on the structure and chemistry of hematite surfaces. M. A. Henderson, S. A. Joyce, J. R. Rustad
10:00 201. Surface reactions in the chemical vapor depostion of highly transparent and conductive fluorine-doped zinc oxide. R. G. Gordon, H. Liang
10:20 Break
10:40 202. An ab initio study of chemical and photochemical properties of the rutile TiO2(110)/water interface. E. V. Stefanovich, T. N. Truong
11:00 203. Quantum modeling of solid-liquid interfacial chemistry: an application to the MgO-water interface. M. A. Johnson, E. V. Stefanovich, T. N. Truong
11:20 204. Thermal variation of the structure and lattice dynamics of KTaO3(001). S. A. Safron, J. A. Li, E. A. Akhadov, T. W. Trelenberg, J. G. Skofronick, R. L. Banerjee, L. A. Boatner
11:40 205. Structure and composition at the surface of zirconia. A. M. Rappe, S. P. Lewis
V. Ramamurthy, Organizer
K. D. Deshayes, Organizer
R. Srinivasan, Presiding
A. Trozzolo, Presiding
8:20 206. Ultrafast internal conversion and energy transfer in light-harvesting carotenoid-containing complexes. T. Gillbro, A. N. Macpherson, J. B. Arellano, R. J. Cogdell
8:50 207. Light-induced structural changes of rhodopsin. Y. Shichida
9:20 208. A novel photointermediate activates and deactivates of signal coupling proteins in octopus photoreceptors. M. Tsuda
9:50 209. Retinal analogs as probes for rhodopsin function. W. J. DeGrip, P. H. M. Bovee-Geurts, F. DeLange, P. Verdegem, H. J. M. DeGroot, J. Lugtenburg
10:20 Break
10:40 210. Photochemistry of human retinal lipofuscin. E. Gaillard
11:10 211. Self-modeling the D96N mutant bacteriorhodopsin photocycle. J. Saltiel, D. F. Sears, J. K. Lanyi, L. Zimanyi
11:40 212. Modified retinyl chromophores and the corresponding rhodopsin and bacteriorhodopsin analogs. R. S. H. Liu
Nanocomposites, Blends and Thin Films
A. C. Balazs, Organizer
J. F. Rabolt, Organizer
G. S. Ferguson, Presiding
1:40 213. Phase behavior of thin film polymer blends. S. K. Kumar, R. L. Jones, D. L. Ho, R. M. Briber, T. P. Russell
2:10 214. Characterization of ultrathin polymer films and interfaces via optical probe techniques. D. B. Hall, J. M. Torkelson
2:30 215. Polymer mobility in thin films. T. P. Russell, O. K. C. Tsui
3:00 216. Confinement effects on the thermal expansion and glass transition behavior of thin polymer films sandwiched between polymer layers. D. Pochan, E. Lin, W-L. Wu, S. Satija
3:20 Break
3:40 217. Molecular dynamics study of rheological behavior of confined branched and linear perfluoropolyethers. A. Koike, Y. Ito
4:00 218. Phase separation of polymer blends with fillers. A. Karim, K. A. Barnes, E. K. Hobbie, A. I. Nakatani
4:30 219. Irreversible fast gel formation in multicomponent polymer solutions. H. Craubner
V. Ramamurthy, Organizer
K. D. Deshayes, Organizer, Presiding
I. Kochevar, Presiding
1:25 220. Rapid photorelease of excitatory amino acids and peptides: mechanistic studies of phototriggers. R. S. Givens, A. H. Jung, J. F. W. Weber
1:55 221. Sensitive detection of bioanalytes with chemiluminescence. I. Y. Bronstein, B. Edwards, J. C. Voyta, C. Martin, C. Olesen, C. Ethier, J. Y. Lee
2:25 222. Photophysical properties and DNA binding of quinone diimine Rh(III), Zn(II), and Ru(II) complexes. C. Turro, J. T. Warren
2:50 223. Site specific photocleavage of proteins and DNA. C. V. Kumar, A. Buranaprapuk
3:20 Break
3:40 224. Photochromism of single crystalline dithienylethenes. M. Irie
4:10 225. Photoreactivity of dissolved organic matter in freshwater environments. R. G. Zepp
4:40 226. Photochemically generated free radicals in natural waters. O. C. Zafiriou
Quantum Dots
R. W. Field, Organizer
K. K. Lehmann, Organizer
M. Bawendi, Presiding
1:40 227. Dipolar character of colloid semiconductor quantum dots and intraband spectroscopy and dynamics. P. M. Guyot-Sionnest, M. Shim, M. A. Hines, S. A. Blanton
2:30 228. Optical spectroscopy of InP and GaAs quantum dots. A. J. Nozik, D. Bertram, O. I. Micic
3:20 Break
3:40 229. Large quantum dots containing few electrons. R. C. Ashoori, N. B. Zhitenev, M. Brodsky, L. N. Pfeiffer, K. W. West
4:30 230. Spectroscopy of single CdSe nanocrystallites. S. A. Empedocles, M. Bawendi
Electronic Structure I
R. M. Stratt, Organizer
A. E. DePristo, Organizer, Presiding
1:15 Introductory Remarks - A. E. DePristo
1:20 231. The American Chemical Society subdivision of Theoretical Chemistry - A historical perspective. H. F. Schaefer
2:00 232. Thirty years of analytical derivatives in quantum chemistry: solved and unsolved problems. P. Pulay
2:40 233. Electron correlation in the qualitative description of chemical bonding. E. R. Davidson
3:20 Break
3:40 234. Twenty years of coupled-cluster theory: overview and reflection. R. J. Barlett
4:20 235. Multiconfigurational SCF theory 1978-1998 - A Scandinavian perspective. B. Roos
G. L. Richmond, Organizer
7:00-9:00
307. See subsequent listing.
76. See previous listing.
79. See previous listing.
121. See previous listing.
175. See previous listing.
178. See previous listing.
415. See subsequent listing.
73. See previous listing.
135. See previous listing.
296. See subsequent listing.
170. See previous listing.
179. See previous listing.
63. See previous listing.
Adhesion and Patterned Films
A. C. Balazs, Organizer
J. F. Rabolt, Organizer
S. K. Kumar, Presiding
9:00 75. Measurement of the chemical adhesion of thin films using the method of contact mechanics. M. K. Chaudhury
9:30 236. Location and mechanism of failure in polymer adhesive films. M. O. Robbins, A. R. C. Baljon, D. Gersappe
10:00 239. Dynamic probing of micromechanical properties of polymeric materials. V. V. Tsukruk, Z. Huang, S. A. Chizhik, V. V. Gorbunov, N. K. Myshkin
10:20 Break
10:40 240. Thin films from layer-by-layer assembly: complex dimensional structures using self assembly. P. T. Hammond, S. L. Clark, D. DeWitt
11:10 241. Patterning of polymer thin films via substrate topography. M. J. Fasolka, A. M. Mayes, P. Banerjee, S. G. Mochrie, G. Pickett, A. C. Balazs
11:40 242. Ordered multilayers of linear-dendritic diblock copolymers. J. Iyer, P. T. Hammond
V. Ramamurthy, Organizer
K. D. Deshayes, Organizer
H. D. Roth, Presiding
R. H. Schmehl, Presiding
8:40 243. Excitation localization and delocalization in s systems. J. Michl
9:10 244. Adiabatic ring opening of a triplet cyclopropyldicarbinyl biradical. R. A. Caldwell, A. M. Helms, L. Gao
9:40 245. Photophysical properties of new types of fullerene-porphyrin hybrids. D. I. Schuster, P. S. Baran, R. Fong, P. Cheng
10:00 246. Double proton-transfer in the photochemistry of arenols. L. M. Tolbert
10:20 Break
10:40 247. Two-photon excitation fluorscence spectroscopy of quadruply bonded metal-metal dimers. D. G. Nocera
11:10 248. Comparison of the spin, diffusion and reaction dynamics of flexible alkane chain biradicals and micelle-confined radical pairs. M. D. Forbes, N. I. Avdievich, V. F. Tarasov
11:40 249. Effects of structure and medium on the singlet excited states of all-trans-1,6-diphenyl-1,3,5-hexatriene derivatives: A transient absorption spectroscopic study. E. F. Hilinski, W. M. McGowan, S. A. Fleming, S. Wang, J. Saltiel
Spectroscopy and Dynamics in Helium Clusters
K. K. Lehmann, Organizer
R. W. Field, Organizer
J. Higgins, Presiding
8:15 Introductory Remarks - John Higgins
8:20 250. Spectroscopic manifestations of superfluidity in helium droplets. A. F. Vilesov
9:00 251. Molecular rotations in helium clusters. K. B. Whaley
9:35 252. Recent results in helium cluster isolation spectroscopy. G. Scoles
10:20 Break
11:00 253. Infrared laser spectroscopy of molecules embedded in small liquid helium droplets. R. E. Miller, K. Nauta
Dynamics
R. M. Stratt, Organizer
A. E. DePristo, Organizer
M. Child, Presiding
8:20 Introductory Remarks - M. Child
8:25 254. Semiclassical theories of electronically nonadiabatic molecular dynamics. P. Pechukas
9:00 255. Tunneling into new territory. E. J. Heller
9:40 256. Quantum and semiclassical theory of chemical reaction rates. W. H. Miller
10:20 Break
10:40 257. Development and perspectives of first principle molecular dynamics. R. Car
11:00 258. The quantum dynamics of interfacial hydrogen in metals. J. D. Doll
Adhesion and Patterned Films
A. C. Balazs, Organizer
J. F. Rabolt, Organizer
P. T. Hammond, Presiding
2:00 259. Layer-by-layer adsorption of weak polyelectrolytes: a means to control layer thickness, composition and surface wettability. M. F. Rubner, S. Shiratori
2:30 260. Adsorption of polyampholytes on charged surfaces. A. V. Dobrynin, M. Rubinstein, J. F. Joanny
3:00 261. Fundamental studies of sequentially adsorbed polyelectrolyte multilayered films. J. W. Baur, M. F. Rubner
3:20 Break
3:40 262. The structure of polyelectrolyte multilayers and gold colloid/polyion films. G. Decher, J. Schmitt
4:10 263. Charged and neutral polymer transport in a single ionic channel. J. J. Kasianowicz, M. Akeson, S. E. Henrickson, S. M. Bezrukov, E. Brandin, D. Branton, D. W. Deamer
4:40 238. The unified Lewis acid-base approach for adhesion, adsorption and solvation at liquid-polymer interfaces. L-H. Lee
V. Ramamurthy, Organizer, Presiding
K. D. Deshayes, Organizer
G. Jones II, Presiding
M. B. Zimmt, Presiding
1:20 264. Quenching dynamics of excited cyanoaromatics with pyridines. S. Farid, Y. Wang, J. P. Dinnocenzo, J. L. Goodman, I. R. Gould
1:50 265. Psoralen photochemistry: the role of electron transfer. L. J. Johnston, P. D. Wood
2:20 266. Photoinduced bond-coupled electron transfer reactions. J. L. Goodman
2:50 267. Selective energy flow in solution and the molecular mechanism via inter-molecular hydrogen bond in the excited state. H. Inoue
3:20 Break
3:40 268. Deprotonation reactions of aniline radical cations. I. R. Gould, G. Dombrowski, J. P. Dinnocenzo, J. L. Goodman, S. Farid
4:10 269. Intramolecular electron transfer in C-clamp donor-acceptor molecules. D. H. Waldeck, I. Read, R. Kaplan, K. Kumar, A. Napper, M. B. Zimmt
4:40 270. An estimate of the degree of charge transfer and lifetimes of singlet oxygen exciplexes. W. S. Jenks, A. Darmanyan
Spectroscopy and Dynamics in He Clusters
K. K. Lehmann, Organizer, Presiding
R. W. Field, Organizer
1:15 Introductory Remarks - Kevin Lehmann
1:20 271. Spectroscopy of metal atoms attached to large helium clusters. F. Stienkemeier, H. O. Lutz
2:00 272. Charge migration in liquid helium droplets. K. C. Janda
2:40 273. Time-resolved dynamics of optically-excited alkali metal dimers and trimers on the surface of helium clusters. J. H. Reho, G. Scoles, J. Higgins, C. Callegari, M. R. Radcliff, K. K. Lehmann
3:20 Break
3:40 274. Infrared photodetachment of metastable helium molecules from helium nanodroplets. J. A. Northby, S. Yurgenson, C-C. Hu
4:20 275. Heteronuclear and homonuclear ultracold collisions studied by photoassociative spectroscopy. J. P. Shaffer, W. Chalupczak, N. P. Bigelow
Electronic Structure II
R. M. Stratt, Organizer
A. E. DePristo, Organizer
S. Hammes-Schiffer, Presiding
1:55 Introductory Remarks - S. Hammes-Schiffer
2:00 276. Unitary group based coupled-cluster approaches to open shell systems. J. Paldus, X. Li
2:40 277. Nonadiabatic decay of electronically excited states induced by conical intersections: Revising the conventional wisdom. D. R. Yarkony
3:20 Break
3:40 278. Several revolutions in configuration interaction. I. Shavitt
4:20 279. Relativistic electronic-structure calculations for molecules. B. A. Hess
Molecular and Supramolecular Photochemistry and Photophysics
G. L. Richmond, Organizer, Presiding
7:00-9:00
280. Effects of modifications of P-25 TIO2 on oxidative photocatalytic degradation of benzene vapor. N. N. Lichtin, M. Sadeghi
281. High resolution Si-29 solid state NMR study of interactions betwen MFI zeolite and photoactive ketones. W. Li, X. G. Lei, N. J. Turro
282. Photophysical properties of a columnar liquid crystal: A thiophene-based hexacatenar. I. A. Levistky, T. M. Swager, K. Kishikawa
283. Photochemistry and photophysics of aromatic sulfoxides: Characterization of the singlets and triplets. W. Lee, W. S. Jenks
284. Electron transfer processes within zeolites: 1,1-diarylethylenes. P. H. Lakshminarasimhan, K. Pitchumani, K. J. Johnston, P. Wood, V. Ramamurthy
285. Photoisomerization mechanism of stilbene adsorbed in Y zeolite. Y. Kuriyama, M. Kojima, H. Takeya, S. Oishi
286. Photochemical properties of porphyrin-ferrocene linked molecules in various solvents. T. Kondo, K. Uosaki, T. Kanai, M. Yanagida, H. Noguchi
287. Conformational studies of methacrylic acid copolymers in water using fluorescence probes. O. Klueva, G. Jones II, S. Linares-Samaniego
288. Photo-assisted highly selective chlorination of benzene by chlorine in NaZSM-5. S. J. Kirkby, H. Frei
289. Luminescence-based oxygen sensors: fluorescence microscopy as a probe of system heterogeneity. K. A. Kneas, J. N. Demas, A. Periasamy, B. A. DeGraff
290. Substitution dependent photochemistry and photophysics of aminostilbenes. R. S. Kalgutkar, F. D. Lewis, J-S. Yang
291. Phosphinoyl radicals - structure and reactivity. S. Jockusch, N. J. Turro
292. Imaging studies of the photolysis of simple saturated and unsaturaged hydrocarbons at Lyman a. W. M. Jackson, R. J. Price, D. D. Xu, M. Ahmed, D. S. Peterka, A. G. Suits
293. Evidence for labilization and reattachment of a ring nitrogen in the photoaquation of cis-Cr(cyclam)(NH3)23+. G. I. Irwin, A. D. Kirk
294. Structure elucidation and fluorescent property of the light-emitter in aequorin bioluminescence. T. Hirano, T. Shibata, Y. Ohmiya, S. Maki, H. Niwa, M. Ohashi
295. The matrix isolation photochemistry of cycloheptatriene: A twin state explanation for the difference from gas phase behaviour. Y. Haas, S. Zilberg, U. Samuni, S. Kahana
296. Time-resolved EPR study of acrylate and methacrylate polymer photodegradation in solution. E. J. Harbron, M. D. Forbes
297. Fluorescence spectroscopic studies of anthracene adsorbed into zeolites: From the detection of cation -p interaction to the observation of dimers and crystals. S. Hashimoto
298. Conformer energies of permethylated polysilanes: a set of increments. C-H. Ottosson, D. Antic, F. Neumann, B. Albinsson, J. Michl
299. Orientation dependence of photochemical reactions on TiO2 thin film surfaces. W. E. Farneth, P. A. M. Hotsenpiller, J. D. Bolt, J. G. Lowenkamp, G. S. Rohrer
300. Organization of bacteriochlorophyll c aggregates and carotenoids in bacterial chlorosomes studied by depolarized resonance light scattering spectroscopy. J. de Paula, J. Parkash
301. Bond coupled electron transfer processes. A. Cuppoletti, J. L. Goodman, J. P. Dinnocenzo, S. Farid, I. R. Gould
302. Acid-base properties of Coumarin 6 in solution and zeolites. S. Corrent, G. Pohlers, T. J. Connolly, J. C. Scaiano, V. Fornés, H. Garciá
303. Spectroscopic investigations of ground and excited state carbocation reactivity in supercritical carbon dioxide. J. E. Chateauneuf, H. Jin
304. Probing the interaction between DNA and dendrimers. W. Chen, N. J. Turro, D. A. Tomalia
305. Supramolecular carbene chemistry. U. H. Brinker
306. Photoinduced substitution at bridgehead carbons: Molecular analog of a diamond surface reaction. J. B. Miller, J. R. Salvador
307. Quenching of excited-triplet states at silica/solution interfaces. S. R. Shield, J. M. Harris
308. Photochemical automeriztion of propadienylidene (H2C=C=C:). R. J. McMahon, J. T. DePinto, J. A. Hodges, R. A. Seburg, J. F. Stanton
309. Photoinduced decarbonylation of 2-phenyl-4-alkylidene-5(4H)-oxazolones. B. S. Park, C. M. Oh, K. H. Chun, J. O. Lee
310. A novel photochemical behavior of 4-bromo-3-methyl-1-phenyl-5-pyrazolone. T. Matsuura, X-L. Li, Y-M. Wang, J-B. Meng
311. Novel excimer formation and exciton-coupling of new tethered cyanine dye dimers in various media. L. Lu, D. G. Whitten, T. L. Penner, J. Perlstein
312. Squaraines-a new class of gelators and the properties of their gels. M. A. Stanescu, D. G. Whitten
313. Surface-active peroxide photoinitiator for microemulsion polymerization. Y. Li, L. Wang, X. Lin, J. Zhao
314. Investigating solvent effects on the photochemical relaxation processes for a charge-transfer forming molecule in supercritical fluids and mixed solvents. M. Khajehpour, J. F. Kauffman
315. Interaction of organic dyes with humic acids. J. A. C. Jimenez, G. L. Indig, G. Jones II
316. Asymmetric photreactions within chirally modified zeolites. A. Joy, S. Hamstead, M. Leibovitch, J. Scheffer, V. Ramamurthy
317. Photophysical behavior of the meso-tetrakis (4-bipyridylphenyl) porphryin and metal complex derivatives. R. A. Kipp, Y. Li, R. H. Schmehl
318. The partition effect on radical dynamics: Application to micelles and vesicles. M. H. Kleinman, T. Shevchenko, C. Bohne
319. Ring-size and charge-density dependent dimerization of 1-arylcycloalkene cation radicals. M. Kojima, T. Ishida, S. Takamuku, Y. Kuriyama, S. Oishi
320. An efficient photo-set-induced cleavage of the Seebach-Corey's dithiane adducts and its relevance to the development of photoremovable protecting groups for carbonyl compounds. A. G. Kutateladze, W. A. McHale
321. CW- and pulsed-EPR study of the photoreduction of phenalenone in x- and y-zeolites. D. W. Dwyer, D. C. Doetschman, D. C. Gilbert, M. Kosmowski
322. Investigation of phenothiazinium dyes and dye-DNA interactions by nonresonant holes. T-C. Chang, C-I. Weng
Special Topics in High Resolution Spectroscopy
G. L. Richmond, Organizer, Presiding
7:00-9:00
183. Algebraic approach for the calculation of polyatomic Franck-Condon factors: Application to the vibronically-resolved emission spectrum of S2O. T. Müller, P. Duprµe, P. H. Vaccaro, F. Perez-Bernal, M. Ibrahim, F. Iachello
323. Proton-transfer dynamics in electronically excited malonaldehyde. A. A. Arias, P. H. Vaccaro
325. Variations in the spectrum of simple molecules interacting with metallic clusters. M. Vicens, G. E. López
326. Measurement of two-photon absorption cross-sections. P. A. Fleitz, S. M. Kirkpatirick, R. L. Sutherland
327. Temperature-dependent collisional removal of vibrational excitation in the lowest two singlet states of oxygen. E. S. Hwang, R. A. Copeland, T. G. Slanger
328. Molecular conformations of biomolecules from rotational spectroscopy. M. J. Tubergen, K. A. Kuhls, R. A. Lavrich
329. A vibronic coupling model for Stark effect spectral lineshapes in electron donor-acceptor pairs. M. J. Ondrechen, L. F. Murga
330. Detailed investigation of the pump-probe spectroscopy of the hydrated electron. D. H. Son, C. Silva, K. Yokoyama, P. F. Barbara
331. Spectroscopic studies of intermediates for the FeO+ + CH4 reaction. J. Husband, R. B. Metz, K. P. Faherty, F. Aguirre, P. Ferguson, C. Thompson
332. The structures of the van der Waals molecules CO2-N2O and N2-N2O and electric field gradient perturbations in these complexes. H. O. Leung
333. Diode laser spectrum of jet-cooled CH2F2 in the 9-10 m region. M. D. Marshall, J. Matuszeski
334. Femtosecond multiphoton ionization of phenol. C. P. Schick, P. M. Weber, S. Carpenter
335. In situ infrared spectroscopy of the gaseous species present in a diamond chemical vapor deposition system. B. R. Weiner, G. Morell
336. First-order-hyperpolarizabilites of non-linear optical chromophores via the method of solvatochromism. H. B. Simpson, S. B. Allin
337. Photoelectron spectroscopy of multiply charged anions. C-F. Ding, X. Wang, L-S. Wang
338. IR spectroscopy of alkyl peroxy radicals. S. L. Nickolaisen, J. Cabrera, K. Ngo, B. Manahan
339. The infrared specta of water from quantum mechanical and classical instantaneous normal mode (INM) theories. X. Ji, B. Space, P. B. Moore, H. Ahlborn
340. Electronic energy transfer of AnN system: a jet study. X. Wang, S. Speiser, D. H. Levy
341. Conformation, internal rotation, and clusters of diphenylamine and diphenylether. J. R. Cable, I. V. Tretiakov, N. Szabo, B. Larson
342. Raman spectroscopic analysis of the structure of glassy GeSe2Cux and GeSe2-yTeyMy(M=Zn, Cd,Cu). M. M. J. Tecklenburg, E. Larsen, J. Black, B. Lita, D. Islam
343. Photofragment spectroscopy of cluster ions. S. Williams, Y-H. Chiu, R. A. Dressler, D. J. Levandier, E. Murad
344. Modeling of NIR Raman spectra of human breast tissue for breast cancer diagnosis. K. E. Shafer, R. Manoharan, R. Dasari, M. S. Feld, J. Myles, J. Crowe
345. High resolution degenerate four-wave mixing spectroscopy of jet-coooled species: mediation of polarization specificity by lifetime and anisotropy effects. T. Müller, T. A. Wasserman, P. Duprµe, Q. Zhang, P. H. Vaccaro, B. R. Johnson
346. Near infrared frequency modulated diode laser absorption spectroscopy of methylene. A. J. Marr, B-C. Chang, T. J. Sears
347. Collisional energy transfer from highly vibrationally excited pyrazine to H2O. M. R. Fraelich, M. S. Elioff, A. S. Mullin
348. Collisional energy flow from highly vibrationally excited molecules: Is there a supercollision threshold? M. S. Elioff, A. S. Mullin, M. C. Wall
Theoretical Chemistry
G. L. Richmond, Organizer, Presiding
7:00-9:00
349. Characteristic contour of a molecule. Z-Z. Yang, D. X. Zhao
350. A smooth, interpolated ab Inito He-LiH potential surface for rotational energy transfer studies. B. K. Taylor, R. J. Hinde
351. Structural characterization of the teensize semiconductor clusters by combination of theory and experiment. A. A. Shvartsburg, K-M. Ho, B. Pan, Z-Y. Lu, C-Z. Wang, J. G. Wacker, B. Liu, M. F. Jarrold
352. Correlation between solvation thermodynamics and transport of ions in aqueous solutions. J. C. Rasaiah, S. Koneshan, R. M. Lynden-Bell
353. A complete basis set model chemistry. VI. Use of density functional geometries and frequencies. G. A. Petersson, J. A. Montgomery, Jr., J. W. Ochterski, M. J. Frisch
354. Extending the J-walking Monte Carlo method to the isothermal-isobaric ensemble. W. Ortiz, G. E. Lopéz, M. Vicens, A. Perlloni
355. Thermal decomposition/isomerization of ortho-benzyne. L. V. Moskaleva, M. C. Lin, L. K. Madden
356. Microscopic dielectric response to a general field. O. B. Jenkins, K. C. Hunt
357. Modified sum-over-states theory to compute non-linear optical properties of molecules. G. P. Das, D. D. Dudis
358. Investigations into weak molecular complexes. D. W. Ball, M. Kulis, T. Merwin
359. Instantaneous normal mode theory of condensed phase absorption. H. Ahlborn, B. Space, P. B. Moore, X. Ji
359a. Efficient memory equation algorithm for reduced dynamics in spin-boson problems. A. Golosov, R. A. Friesner, P. Pechukas.
Polymer Aggregates, Brushes and Monolayers
A. C. Balazs, Organizer
J. F. Rabolt, Organizer
M. F. Rubner, Presiding
8:20 360. Single polymer chain and micelle dynamics at submerged interfaces. G. C. Walker, B. B. Akhremitchev, J. E. Bemis
8:50 361. Cryogenic transmission electron microscopy (cryo-TEM) in the study of macromolecular aggregates. Y. Talmon
9:20 362. Solvent and shear effects on the geometry of end-adsorbed diblock copolymers. S. M. Baker, D. E. Gragson, G. S. Smith, C. Toprakcioglu, M. Perri, J. Jensen
9:50 363. Dewetting dynamics on grafted polymer layers. D. Gersappe
10:20 Break
10:40 364. Structure of dense polymer brushes at the air-water interface. H. Bianco-Peled, Y. Dori, J. Schneider, M. Tirrell, L-P. Sung, S. Satija
11:00 365. Static and dynamic profiles of polymer brushes. D. Johannsmann, M. Gelbert, A. Roters, M. Schimmel, J. Rühe
11:30 74. Nanoscale-to-microscale management using monolayer polymers. C. E. Evans
I: Structural Dynamics
N. F. Scherer, Organizer, Presiding
R. M. Hochstrasser, Organizer
8:55 Introductory Remarks - Norbert Scherer
9:00 366. From fs IR spectroscopy to ps X-ray crystallography: Probing structural dynamics in carbon monoxymyoglobin. P. A. Anfinrud, M. Lim, T. A. Jackson, V. Srajer, K. Moffat, F. Schotte, S. Techert, M. Wulff
9:40 367. Theory of dielectric relaxation in protein environments. X. Song, M. Lang, G. R. Fleming, D. W. Chandler
10:20 Break
10:40 368. Stimulated photon echo and transient grating studies of protein-matrix solvation dynamics in native and molten-globule structures. W. F. Beck, B. J. Homoelle, W. M. Diffey
11:00 369. The primary step in bacteriorhodopsin-photosynthesis. M. A. El-Sayed, L. Song
11:20 370. Ultrafast vibrational echo and shock wave studies of heme protein dynamics. D. D. Dlott
Theoretical Insights into Spectroscopic Patterns
R. W. Field, Organizer
K. K. Lehmann, Organizer
M. Kellman, Presiding
8:30 371. Saddle-node bifurcations, periodic orbits and isomerization in HCP. R. Schinke
9:10 372. Acetylene pure bending dynamics. M. P. Jacobson, J. P. O'Brien, R. J. Silbey, R. W. Field
9:40 373. The phase space structure revealed by the measured DF spectrum for pure bending dynamics in acetylene to 15,000 cm-1. H. S. Taylor, M. Jacobson, C. Jung
10:20 Break
10:40 374. The AOSM: A symmetry adapted anharmonic local model of molecular vibrations. A. Frank
11:20 375. High-resolution infrared spectroscopy of CH5+. J. Tang, E. T. White, T. Oka
11:50 376. Surface electron ejection by laser-excited metastable spectroscopy of acetylene. K. L. Cunningham, S. Altunata, S. Drucker, C. G. Morgan, R. W. Field
Equilibrium Statistical Mechanics
R. M. Stratt, Organizer
A. E. DePristo, Organizer
J. D. Weeks, Presiding
8:15 Introductory Remarks - J. D. Weeks
8:20 377. Theories of equilibrium and nonequillibrium solvation. H. L. Friedman, F. O. Raineri
9:00 378. Solvent dynamics and electronic excited state relaxation. P. J. Rossky
9:40 379. Hydrophobicity at small and large length scales: two faces of water. D. W. Chandler, K. Lum, J. D. Weeks
10:20 Break
10:40 380. Scaling ideas in critical phenomena. B. Widom
11:20 381. Renormalization group theory: Scaling, universality, and more. M. E. Fisher
Polymer Aggregates, Brushes and Monolayers
A. C. Balazs, Organizer
J. F. Rabolt, Organizer
D. Gersappe, Presiding
1:20 382. Growth mechanisms of self-assembled monolayers. D. K. Schwartz, W. A. Hayes, I. Doudevski, J. T. Woodward
1:50 383. Structure and growth of organic thin films. G. Scoles
2:20 384. Corrosion inhibition using long-chain thiol-based monolayers on copper. P. E. Laibinis, G. K. Jennings, T-H. Yong, J. C. Munro
2:50 385. Stratified layer assemblies of fluorinated self assembled monolayers and colloidal gold particles. J. F. Rabolt, A. Kalumbar
3:20 Break
3:40 386. Amino-terminated self-assembled monolayers on SiO2 and their interaction with chromophores, proteins and ionomers. D. F. Siqueira Petri, P. Schunk, T. Schimmel, G. Wenz
4:00 387. Dynamic contact angle studies of fluorinated siloxane self-assembled films. M. J. Pellerite, D. L. Schmidt
4:20 388. Adsorption and electron-induced polymerization of multilayer benzene on clean and hydrogen-covered W(110). J. E. Whitten, R. Gomer
4:40 389. Fluorescent molecular assemblies for reagentless biosensing. G. P. Lopez
II: Structure and Landscapes
N. F. Scherer, Organizer
R. M. Hochstrasser, Organizer
W. F. Beck, Presiding
2:00 390. Ns time-resolved x-ray diffraction studies of structural changes in biological macromolecules. V. Srajer, T-Y. Teng, T. Ursby, B. Perman, D. Bourgeois, C. Pradervand, F. Schotte, R. Kort, Z. Ren, W. Royer, K. Hellingwerf, M. Wulff, K. Moffat
2:40 391. Exploring protein energy landscapes. D. Thorn Leeson, D. A. Wiersma
3:20 Break
3:40 392. Protein tuning of the excited-state charge transfer dynamics in blue copper proteins from resonance Raman intensities. G. R. Loppnow, E. Fraga, M. A. Webb
4:00 393. Effect of protein dynamics on biological electron transfer. A. A. Stuchebrukhov, I. Daizadeh, E. S. Medvedev
4:20 394. Probing dynamics of single enzyme molecules. X. S. Xie, H. P. Lu, L. Xun
Patterns in Spectra I
R. W. Field, Organizer
K. K. Lehmann, Organizer
M. P. Jacobson, Presiding
1:20 395. New insights into the dynamics of polyatomic molecules as seen through vibrogram spectral analysis. E. J. Heller, K. Harai
2:00 396. Neural networks untangled. R. D. De Veaux
2:40 397. The application of neural networks to the integrated interpretation of multi-spectral data. M. E. Munk, M. S. Madison, E. W. Robb
3:20 Break
3:40 398. Novel spectroscopic approaches in complex chemical reaction-systems: needs and challenges for pattern recognition techniques. K. Kohse-Höinghaus
4:20 399. Temperature dependence and dynamical instability in the Hartley absorption system of ozone. B. Johnson, B-Y. Chang, C-W. Hsiao, L. Le, J. L. Kinsey
Electronic Structure III
R. M. Stratt, Organizer
A. E. DePristo, Organizer
A. Haymet, Presiding
1:55 Introductory Remarks - A. Haymet
2:00 400. The density functional theory of molecular electronic structure. R. G. Parr
2:40 401. The evolution of gradient corrections in density-functional theory. A. Becke
3:20 Break
3:40 402. Water and ice from first principles. M. Parrinello
4:20 403. Quantum Monte Carlo: from a few electrons to a few thousand. J. B. Anderson
Biophysical Chemistry
G. L. Richmond, Organizer, Presiding
7:00-9:00
404. Reaction driven low frequency modes in heme proteins. F. D. Rosca, A. Demidov, J. Christian, P. Champion
405. Simulation of the dynamical transition in proteins. D. J. Tobias
406. How do helices fold? G. L. Millhauser, D. J. Anderson, J. McNulty, P. Hanson, G. Martinez, C. Toniolo
407. Probing retinal excited-state dynamics in bacteriorhodopsin on the femtosecond timescale. T. M. Masciangioli, M. A. El-Sayed, S. L. Logunov
408. Ultrafast dynamics of transient absorption spectra of heme proteins. X. Ye, A. Demidov, W. Wang, J. Christian, P. Champion
409. Ultrafast multi-color pump-probe studies of stimulated emission in ferrous cytochrome C. W. Wang, A. Demidov, X. Ye, J. Christian, P. Champion
410. Time-resolved studies of different Photosystem II preparations. J. J. Shiang, B. Donovan, R. J. Sension, C. F. Yocum
411. Ultrafast studies of active site dynamics in blue copper proteins. L. D. Book, N. F. Scherer
412. Density functional theory of spin-coupled models for diiron-oxo proteins: m-oxo-bis(m -acetato) and m-hydroxo-bis(m -acetato) bridged Fe3+-Fe3+. J. H. Rodriguez, J. K. McCusker
413. Ultrafast infrared and visible spectroscopic investigation of the photocleavage of nitric oxide from nitrosothiols. B. K. Mohney, C. Wang, G. C. Walker
414. Fast conformational dynamics of peptides as photoinitated by disulfide cleavage and characterized by ns time-resolved optical and infrared spectroscopy. S. E. Vitols, S. Lu Helen, C. M. Phillips, W. F. DeGrado, R. M. Hochstrasser
415. Folding of designed proteins. J. G. Saven
416. Singlet and triplet energy transfer from peridinin to chlorophyll in the peridinin-chlorophyll a-protein from Amphidinium carterae. J. A. Bautista, H. A. Frank, K. Atticks, R. Hiller, F. Sharples, D. Gosztola, M. R. Wasielewski
417. The role of His64 and Arg45 in the spectroscopic A-states of carbonmonoxy myoglobin molecular dynamics multivariate analysis and quantum mechanical computations. J. D. Evaseck, B. G. Schulze-Fiehn
418. Modeling the laser-phototaxis motility of algae using material-balance equation. M. A. Vaksman, J. L. Dahl
419. Kinetics of enzymatic addition and elimination of ammonia in system: substituted cinnamic acids-phenylalanines. M. Kanska, J. Jemielity, M. Konopka, R. Kanski
420. The influence of mutual solubility for distribution coefficient of beta-carotene between organic solvents and water liquid-liquid equilibrium data. T. Kasprzycka-Guttman, T. Treszczanowicz, A. J. Treszczanowicz
421. Bonding and bending in the actinyls. K. G. Dyall
Molecular and Supramolecular Photochemisty and Photophysics
G. L. Richmond, Organizer, Presiding
7:00-9:00
422. Infrared study of the chemical grafting of N-alkanethiols on dimethylzinc-modified alumina and silica surfaces. V. Boiadjiev, W. T. Tysoe
423. Photochemical properties of N-(4-benzoylphenylmethul) aromatic ammonium borates. W. Zhang, D. C. Neckers
424. Photochemical reactions of 2,4-diethyl-2,4-diphenyl-1,3-cyclobutanedione in benzene and in isopropanol. H. Zang, D. C. Neckers
425. Femtosecond transient absorption studies of electronic relaxation, rotational diffusion, and vibrational relaxation in 1,8-diphenyl-1,3,5,7-octatetraene. W. A. Yee, R. H. O'Neil, J. W. Lewis, J. Z. Zhang, D. S. Kliger
426. Alkyl chain length dependence of quantum efficiency of photoinduced electron transfer at gold electrodes modified with self-assembled monolayer containing porphyrin and ferrocene groups. K. Uosaki, T. Kanai, T. Kondo
427. Synthesis, photophysics, and DNA binding of Ru(II) and Ru(III) complexes. J. T. Warren, C. Turro
428. Determination of (2,2'-bipyridyl)re triplet excited state energies with laser-induced optoacoustic spectroscopy. K. A. Walters, K. S. Schanze
429. Time-resolved infrared studies of 2-napthylcarbomethoxycarbene. Y. Wang, J. P. Toscano
430. Pulsed radiolysis studies of fast intramolecular electron transfer reaction in dicyanobifluorene. A. A. Szarka, J. R. Miller, P. Piortrowiak, R. Kobetic
431. The influence of structure variation on nonlinear optical properties of porphyrins. W. Su, T. Cooper, K. Nguyen, D. Brandelik, M. Brant, D. McLean
432. Temperature-dependent electron injection processes for J-aggregated and monomeric dyes on AgBr microcrystals. G. L. Strati, A. A. Muenter, D. V. Brumbaugh, R. K. Hailstone
433. Cancelled
434. Ultraviolet-laser photodissociation of fluorine-containing molecules using chemical laser IR detection. M. A. Muyskens, D. J. Lautenbach, K. J. Muyskens
435. Photo-induced tempo release in initiators for free radical polymerization. W. G. Skene, T. J. Connolly, J. C. Scaiano
436. Photoinduced electron transfer for photoligands in proteins. Y. Sheng, G. Jones II
437. Computational study of the molecular structure and electronic spectra of fulvene and fulvene derivatives. B. Shen, R. E. Connors, M. Lacroix
438. The investigation of charge transfer complexes in amorphous solids. T. A. Rhodes, S. Farid, J. L. Goodman, I. R. Gould, R. H. Young
439. Nucleic acid base oxidation mediated by imide triplet excited states. J. E. Rogers, T. P. Le, S. J. Weiss, L. A. Kelly
440. Photochemistry of 1-azaxanthone-cyclodextrin inclusion complexes. S. M. Shaw, L. Martinez, J. C. Scaiano
441. Application of Stark spectroscopy to the study of media effects on the electronic properties of conjugated molecules. L. A. Peteanu, S. Locknar
442. Organic photochemistry in molten salts and related media. R. M. Pagni, G. Mamantov, C. Lee, G. Hondrogiannis, A. Unni, T. Winston
443. TiO2 photocatalysis and the reactions of hydroxyl radicals with phosphonates. K. E. O'Shea, A. Aguila, T. Tobien, K-D. Asmus
444. Molecular dynamics in the Franck-Condon evolution of MLCT excited states: time resolving electron delocalization. J. K. McCusker, N. H. Damrauer
445. Vibrational overtone induced isomerization of methylcyclopentadienes. S. Leytner, D. L. Snavely
446. Stabilization of benzyl and benzyl peroxy radicals in MFI zeolites. X. G. Lei, W. Li, N. J. Turro
447. Photooxidation of 1-alkenes in zeolites. S. C. Larsen, Y. Xiang, V. H. Grassian
448. Ultraviolet resonance Raman spectroscopic studies of functional chromophore-protein interactions in phytochrome. F. Andel III, S. Kaminaka, L. C. Lagarias, R. A. Mathies
449. Cancelled
450. Spectroscopic investigation of guanine-rich sequences by a BODIPY dye. T-C. Chang, C-C. Chiang, J-Y. Cheng, C-S. Yan, C-T. Kuo, K. Peck, C-Y. Mou
451. Trepr study of the photoionization of the tyrosine anion in aqueous solution. C. M. Clancy, M. D. Forbes
452. Photochemistry of ketoprofen from the singlet vs. the triplet state. Proposed mechanism of photodecarboxylation. G. Cosa, L. Martµinez, J. C. Scaiano
453. Aggregation studies of styryl-naphthalene fatty acids and phospholipid derivatives: Factors controlling association. C. H. Geiger, D. G. Whitten, L. Chen, J. Peristein
454. Photophysical and photochemical processes of 2-tert-butylanthracene adsorbed on silica. R. Dabestani, J. Higgin, I. Ivanov, M. E. Sigman
455. Photophysical and photochemical properties of 9-aminoacridizinium salts. H. Ihmels
456. Magnesium coordinated intermolecular photochemistry. J. C. Cecil, S. A. Fleming, J. A. Hatten
457. Quantum mechanical tunneling in H-atom transfer reactions of triplet ortho-alkylarylketones. Tunneling from P,P* triplets. M. A. Garcia-Garibay, B. A. Johnson
458. Decay mechanisms of fluorescers in polymer hosts. D. O. Ham, B. Lankshear, C. B. McGowan
459. Solvent reorganization energies in excited-state electron-transfer reactions. M. Z. Hoffman, C. E. Crowley, C. D. Clark
460. Photochemistry and photophysics of crystal violet leuco nitrile and other triarylmethane leuco dyes. V. V. Jarikov, D. C. Neckers
461. Photophysical studies of (1-naphthoyl)diphenylphosphine oxide. N. Zhao, B. Strehmel, A. A. Gorman, D. C. Neckers
462. Photoinduced sequential energy and electron transfer in self-assembling synthetic polypeptide systems. V. I. Vullev, G. Jones II
Biologically-Related Polymer Layers
A. C. Balazs, Organizer
J. F. Rabolt, Organizer
A. Karim, Presiding
9:00 463. Molecular design of biomaterial: prevention of protein adsorption by grafted polymer layers. I. Szleifer
9:30 464. Design of polymeric cell-signaling surfaces and their application as biomaterials. D. J. Irvine, A. M. Mayes, L. G. Griffith
10:00 465. Polymer supported phospholipid bilayer: Double tethering as a new approach of substrate/membrane-stabilization. C. A. Naumann, C. W. Frank, T. Lehmann, O. Prucker, J. RŞuhe, W. Knoll
10:20 Break
10:40 466. Silk protein structure in thin films grown at interfaces. S. P. Gido, R. Valluzzi, S-J. He
11:10 467. Scanning probe microscopy studies of protein adsorption onto surfaces of self-assembled monolayers. N. Sheller, S. Petrash, M. D. Foster
11:30 468. The study of BSA adsorption onto model-reversed phase chromatography surfaces using surface plasmon resonance. G. M. Power, D. A. Barrett, M. C. Davies, I. D. Pitfield, P. N. Shaw
III: Folding
N. F. Scherer, Organizer
R. M. Hochstrasser, Organizer
J. G. Saven, Presiding
9:00 469. Kinetics and mechanism of protein secondary structure formation. W. A. Eaton, V. Muñoz, P. A. Thompson, E. R. Henry, G. Jas, J. Hofrichter
9:40 470. Fast folding of ribonuclease A. H. A. Scheraga
10:00 471. Fast folding/unfolding events in cold shock protein A. R. B. Dyer, F. Gai, H. M. Rodriguez, L. M. Gregoret
10:20 Break
10:40 472. Topographies and dynamics in many dimensions: From clusters to protein models. R. S. Berry
11:20 473. Multiple fast timescales during the refolding of protein backbones. M. Gruebele
Patterns in Spectra II
R. W. Field, Organizer, Presiding
K. K. Lehmann, Organizer
8:20 474. Hierarchical analysis of molecular spectra and intramolecular dynamics. M. J. Davis
9:00 475. Spectroscopic pattern recognition applications in atmospheric remote sensing. S. J. Lipson, D. L. Vitioe, C. L. Allred, R. B. Lockwood, D. E. Paulsen, W. A. M. Blumberg, P. S. Armstrong, M. P. Jacobson, S. L. Coy, R. W. Field
9:40 476. Robust methods in action. A. F. Ruckstuhl
10:20 Break
10:40 477. Conformational isomerization dynamics from the rotational spectrum of single molecular eigenstates. B. H. Pate, D. A. McWhorter
11:20 478. Spectroscopic explorations of the internal rotation-vibration coupling that increases IVR rates in fluorotoluenes. C. S. Parmenter, Q. Ju
Condensed Phase Dynamics and Statistical Mechanics
R. M. Stratt, Organizer
A. E. DePristo, Organizer
B. M. Ladanyi, Presiding
8:55 Introductory Remarks - B. M. Ladanyi
9:00 479. Generalized Langevin dynamics: A retrospective on scientific friction. B. J. Berne
9:40 480. Generalized Langevin dynamics and energy flow in condensed phases. J. C. Tully
10:20 Break
10:40 481. Crossing the reaction barrier in solution. J. T. Hynes
11:20 482. The inherent structures approach as an interpretive tool for condensed matter theory. F. H. Stillinger
Biologically-Related Polymer Layers; Optically, Electrically Active Layers and Liquid Crystalline Polymers
A. C. Balazs, Organizer
J. F. Rabolt, Organizer, Presiding
1:30 483. The use of ATR-FTIR to study the adsorption of bovine serum albumin onto model reversed-phase chromatography surfaces. G. M. Power, D. A. Barrett, M. C. Davies, I. D. Pitfield, P. N. Shaw
1:50 484. Influence of melting temperature and hydrogen bonding on the formation of highly gas permselective ultrathin surfactant membranes. R. A. Hendel, J. T. Hsu, S. L. Regen
2:10 485. Polymers for light emitting diodes. M. E. Galvin, Z. Peng, Z. Bao
2:40 486. Intramolecular electric field polarization of NLO chromophores. W. Huang, M. C. Helvenston, G. Allan, G. L. Duerksen, Y. Xiao
3:00 487. Langmuir-Blodgett films of regio-regular poly(3-hexylthiophene) as field-effect transistors. X. Guofeng, J. T. Groves, Z. Bao
3:20 Break
3:40 488. Directed formation of silicon/polypyrrole contacts. N. Y. Kim, P. E. Laibinis
4:00 489. Phase separation process and liquid crystal texture evolution during thin film polymerization reaction. T-S. Chung, S. X. Cheng
4:20 490. Static and dynamic properties of polymer-dispersed liquid crystal thin films by near-field scanning optical microscopy. D. A. Higgins, E. Mei
4:40 491. Single chain conformational changes in a rigid rod conjugated polymer with acetylenic linkages. W. Zhao, H. Li, R. West, J. C. Wright
Experiments
R. W. Field, Organizer
K. K. Lehmann, Organizer
M. G. White, Presiding
1:20 492. Measuring and interpreting very high resolution spectra of high Rydberg states: An experimental and theoretical challenge. F. Merkt
2:00 493. The beauty of simple structures in the spectra of complex molecules: van der Waals clusters close to their ionisation threshold. R. G. Neuhauser, H. J. Neusser, K. Siglow
2:40 494. Double resonance spectra of entrance channel complexes on the brink of reaction. M. I. Lester
3:20 Break
3:40 324. Double-resonance spectroscopic studies of IVR and confromational isomerism in vibrationally excited NH2OH and CH3OH. T. R. Rizzo, O. V. Boyarkin, M. Schmid, A. Chirokolava, D. S. Perry
4:20 495. State-resolved laser fragmentation of [CINO]n weakly-bound clusters. E. Quiñones, C. Conde, C. Maul
4:40 496. Accurate rovibrational calulations for HOCI molecule. S. Skokov, J. M. Bowman, K. A. Peterson
Biophysical and Complex Systems
R. M. Stratt, Organizer
A. E. DePristo, Organizer
M. Fixman, Presiding
1:15 Introductory Remarks - M. Fixman
1:20 497. Molecular dynamics of proteins. M. Karplus
2:00 498. Theoretical chemistry of enzymes. A. McCammon
2:40 499. Protein folding: from lattice models to real proteins. E. I. Shakhnovich, A. Gutin, V. Abkevich, L. Mirny
3:20 Break
3:40 500. Probing the energetics and dynamics of enzymatic reactions by QM/MM methods. A. Warshel
4:20 501. Riskier uses of randomness: energy and action landscapes in chemical physics. P. Wolynes