PHYSWednesday, August 20, 2008

7:30 PM-10:00 PM Pennsylvania Convention Center -- Hall C, Poster
PHYS Poster Session - Water Mediated Interactions
Organizers:Hank Ashbaugh
Dor Ben-Amotz
Changes in water structure induced by the guanidinium cation and implications for protein denaturation
J. Nathan Scott, Nathaniel V Nucci, Jane Vanderkooi
Characterization of hydrogen bonding complexes of para substituted phenols with H2O in nonpolar solvents
Sharon Keinan, Rinat Grinzaig, Ehud Pines
A cluster-based approach for calculating solvent mediated interactions
Matt E. McKenzie, Samuel J. Keasler, Ricky B. Nellas, Bin Chen
Accurate modeling of distance-dependent charge transfer and polarization in chemical potential equalization methods
G. Lee Warren, Sandeep Patel
Alcohol-water mixing: A systematic effective fragment potential method study
Spencer R. Pruitt, Mark S. Gordon
Applications of a simple reaction force field for polarization, H-bonding, and proton transfer in peptides and water
Seyit Kale, Judith Herzfeld
Assessing competing theories of water dynamics over microscopic lengthscales
Margaret E Johnson, Teresa Head-Gordon
Cold and pressure denaturation in a spherically symmetric water model.
Sergey V. Buldyrev
Coupling of complex aromatic ring vibrations to solvent through hydrogen bonds: Effect of varied on-ring and off-ring hydrogen-bonding substitutions
Nathaniel V Nucci, J. Nathan Scott, Jane Vanderkooi
Critical tests of perturbative and linear response theories for the hydration of polar and nonpolar solutes
Jill Tomlinson-Phillips, Robin C. Underwood, Dor Ben-Amotz
Dynamical study of water catalyzed HF-elimination reaction of CH2FOH.(H2O)n clusters induced by vibrational overtone excitation
Kaito Takahashi, Zeb C. Kramer, Veronica Vaida, Rex T. Skodje
Effect of subphase glycerol on lipid monolayers
Kseniya Gavrilov, Luka Pocivavsek, Ka Y. C. Lee
Effective-charge concept in the pseudo-lattice approach for modeling the mean activity coefficient of electrolyte solutions
Elsa Moggia
Effects of including many body interactions at water-protein surfaces
Sergio Urahata, Jay W. Ponder
FTIR spectroscopy of azide and cyanate ion pairs in AOT reverse micelles
Jeffrey C. Owrutsky, Michael B. Pomfret, David J. Barton, David A. Kidwell
Paper Withdrawn
Hydration waters critically influence catalysis by CPO
David C. Chatfield, Cassian D'Cunha, Carlos Alvarez
Infrared spectra of Na+(APE)(H2O)n
Amy L. Nicely, James M. Lisy
Infrared studies and temperature effects of hydrated alkali metal ion—crown ether systems
Jason D. Rodriguez, James M. Lisy
Investigation of multiphoton absorption in hydrated cesium ion clusters
Jordan P. Beck, James M. Lisy
Ion pairing in aqueous solutions: An investigation using molecular simulations
Christopher J. Fennell, Alan Bizjak, V Vlachy, Ken A. Dill
Measurement of the contact angle of a water droplet on a flat surface
Uriel Vazquez, Chi-cheng Chiu, Wataru Shinoda, D. Vladimir Perez, Preston B Moore, Steven O. Nielsen
Modeling copper(II) ion-water interaction using a reactive force field
Obaidur Rahaman, Douglas J. Doren, Adri CT. van Duin
Natively unfolded protein stability as a coil-to-globule transition in charge/hydropathy space
Hank Ashbaugh, Harold Hatch
Polymorphic crystal growth: The role of hydration in glucose isomerase crystal stability
Christopher M Gillespie, Dilip Asthagiri, Eric W Kaler, Abraham M. Lenhoff
Prediction of Hofmeister ion effects on biopolymer processes
Laurel M. Pegram, M. Thomas Record Jr.
Simulations of a hydrated lipid bilayer with a polarizable force field
Edward Harder, Alexander D. MacKerell Jr., Benoit Roux
The role of water in modulating reactivity within selectively permeable membranes.
John Walker, Heidi Schreuder Gibson, Phillip Gibson, Jan W. Andzelm
Nanophase segregation in supercooled aqueous solutions driven by water's polyamorphism.
Valeria Molinero, Ly Le

Symposium Grid -- Division of Physical Chemistry -- Session Listing

The 236th ACS National Meeting, Philadelphia, PA, August 17-21, 2008