Poster Session
Biopreservation and Sugar : An Insight from Molecular Dynamics Simulations F. Affouard, A. Lerbret, P. Bordat, F. Migliardo, M. Descamps Molecular Dynamics Study of Molten NaI. Coherent and Incoherent Contributions to the Total Structure Factor O. Alcaraz, J. Trullŕs Excess Compressibility in Binary Liquid Mixtures F. Aliotta, J. Gapinski, M. Pochylski, R.C. Ponterio, F. Saija, G. Salvato In Situ ATR-IR Spectroscopy of Polymers Subjected to High-pressure Gases and Fluids J-M. Andanson, S.G. Kazarian Light Scattering in Liquid Benzene at High Pressures A. Asenbaum, E. Wilhelm High Pressure Light Scattering in Liquid Tetrachloromethane A. Asenbaum, E. Wilhelm Structural Study of Liquid Nitromethane: X-Ray and Neutron Diffraction Compared to Molecular Dynamics Simulations S. Bálint, T. Megyes, I. Bakó, T. Radnai The Structure of Concentrated Aqueous Solutions of Chromium and Cerium Nitrates M.I. Cabaço, M.I. Barros Marques, A.M. Gaspar, M.M. Costa, M. Alves Marques CO2-acetone and CO2-ethanol Contact Charge Transfer Complexes Studied from Raman Spectroscopy M.I. Cabaço, Y. Danten, T. Tassaing, S. Longelin, M. Besnard Influence of Torsional Barriers on the Glass Transition of Linear Polymers M. Canales, G. Sesé Orientational Order of a Banana Shaped Mesogenic Molecule as a Solute in a Nematic Calamitic Solvent by 2H-NMR Spectroscopy: an Indication of a Glassy-like Behavior G. Cinacchi, V. Domenici Molecular Dynamics Simulation Study of Liquid 1,4-Dioxane Confined in a Slab Geometry G. Cinacchi, F. Ingrosso Generation of Relaxed and Equilibrated Coarse-grained Models: Simulation of Polyethylene in the Melt and the Solid Amorphous State D. Curcó, D. Zanuy, C. Alemán Coexisting Phases of a Liquid Confined in Aerogels V. De Grandis, P. Gallo, M. Rovere Negative Pressure Asymptote and the Extreme Pressure Inflection of the Glass Temperature A. Drozd-Rzoska, S.J. Rzoska Modeling of Supramolecular Ordering and Properties of Alcohols from Ambient to Critical Conditions V. Durov One Fluid Model on Mass for Transport Properties in Dense Fluid Mixtures G. Galliéro, B. Duguay Vapor Liquid Equilibrium of Organic Solvents from a Linear Model with an Out of Center Point Dipole F. Gámez, M. Cortada, B. Garzón, S. Lago, P. Merkling Volume Properties from the McMillan-Mayer Theory of Solutions in the Grand Canonical Ensemble J.L. Gómez-Estévez A Molecular Dynamics Study of the Water/NPOE Liquid|Liquid Interface R. Gulaboski, M.N. D.S. Cordeiro, M. Jorge Adsorption of Decyl Sulfate Salts with Different Cations at the Air/Water Interface, as Studied by Computer Simulations G. Hantal, L. Pártay, P. Jedlovszky, R. Mészáros, T. Gilányi The Influence of the Cosurfactant 1-Pentanol on Sodium Dodecylsulfate Micelles in Water Investigated by Dielectric Relaxation Spectroscopy J. Hunger, R. Buchner, W. Kunz Electric Conductivities of Alkali-Metal Bromides in Ethanol along the Liquid-Vapor Coexistence Curve up to 493 K K. Ibuki, K. Takahata, T. Hoshina, N. Tsuchihashi, M. Ueno Analysis of the Effect of the Translational-rotational Coupling on the Pseudo-diffusion along the Molecular Axes of Meta-cresol: A Molecular Dynamics Analysis A. Idrissi, P. Damay, M. Kiselev, F. Affouard, M. Descamps Nearest Neighbor Assessments of Spatial Distribution in Sub and Supercritical CO2: A Molecular Dynamics Analysis A. Idrissi, P. Damay, S. Krishtal, M. Kiselev Pore Freezing of Water and Heavy Water in MCM-41 and SBA-15 Silica Materials S. Jähnert, G. Schaumann, A. Schreiber, G.H. Findenegg Molecular Based Equation of State for Water J. Jirsak, I. Nezbeda An Approach to Ultrafast Fluorescence Dynamics in Supercritical Fluids by Optical Kerr Gate Spectroscopy Y. Kimura, S. Nagao, M. Terazima X-Ray Diffraction Characterization of Self-Assembled Gold Containing Supramolecular Species T. Megyes, A. Deák, G. Tárkány, G. Pálinkás Molecular Dynamics Simulations ofα,α,2,6-Tetrachlortoluene in Liquid Phase C. Millot Monte Carlo Simulation in the Isobaric-multithermal Ensemble on the Liquid-solid Phase Transition of L-J Fluids II C. Muguruma, Y. Okamoto Molecular Insight, through IR Spectroscopy, of the Different Solubility Behaviour of Two Anti-Inflammatory Drugs, with Similar Molecular Structure, in CO2-Expanded Liquids M. Muntó, N. Ventosa, T. Tassaing, M. Besnard, Y. Danten, J. Veciana The Noncoincidence Effect of the C=O Stretching Vibration of Acetone in Acetone/Water Mixtures M. Musso, M.G. Giorgini, H. Torii Brillouin Spectroscopy of CO2 Isotopomers Close to the Gas-Liquid Critical Point M. Musso, A. Asenbaum, K-L. Oehme An Optimized Force Field for Sulphur Hexafluoride Simulations A. Olivet, D. Duque, L.F. Vega Dynamic and Spatial Heterogeneities in a Supercooled Diatomic Molecular Liquid R. Palomar, G. Sesé Structural Study of Water in the Saturated Aqueous 1-Octanol System F. Palombo, M. Paolantoni, P. Sassi, A. Morresi, R.S. Cataliotti, T. Tassaing, Y. Danten, M. Besnard Isomeric Effect on the Hydrogen Bonding of Octanols from Normal Towards the Supercritical Phase. A Vibrational Spectroscopy Study M. Paolantoni, F. Palombo, P. Sassi, A. Morresi, R.S. Cataliotti, T. Tassaing, Y. Danten, M. Besnard Development of a New Polarizable Potential Model of Hydrogen Fluoride and Comparison with Other Effective Models in Liquid and Supercritical States L. Pártay, P. Jedlovszky, R. Vallauri Line of Percolation in Supercritical Water L. Pártay, P. Jedlovszky, A. Oleinikova, I. Brovchenko Transport Properties Of Pure Ionic Liquids and Their Binary Mixtures by Molecular Dynamics Simulations C. Rey-Castro, A.L. Tormo, L.F. Vega Mechanism of Solvophobic Interactions M.N. Rodnikova Liquid-liquid Phase Separation in a Nonadditive Model of Binary Athermal Mixtures F. Saija, G. Pellicane, C. Caccamo, P.V. Giaquinta Cooperative Dynamics of Acetonitrile + Water Mixtures A. Stoppa, R. Buchner Small-Angle Neutron Scattering and Volumetric Studies of Dilute Solutions of Dimethylethyleneurea in Heawy Water N.K. Székely, L. Almásy, G. Jancsó Raman Spectra and Liquid Structures of the N,N-Dimethylformamide/Carbon Tetrachloride Binary Liquid Mixtures H. Torii, M.G. Giorgini, M. Musso Time-Domain Calculations of the Polarized Raman Spectra and the Transient IR Absorption Anisotropy of the OH Stretching Mode of Liquid Water H. Torii Poly (Ethylene Oxide) and PEO-based Block Copolymers Dissolved in Room Temperature Ionic Liquids A. Triolo, O. Russina, F. Lo Celso, G. Barone, R.C. Ponterio, F. Aliotta Steric Hindrance Effect of Phenyl Groups on the Noncoincidence Effect of the n(C=O) Raman Band in Molecular Liquids G.P. Venditti, A. Arcioni, M.G. Giorgini, M. Musso Hydrogen Bonding in Supercritical Water-Methanol Mixtures: Experiments and Simulations T. Yamaguchi, K. Yoshida, S. Krishtal, M. Shimohira, N. Yamamoto, Y. Sakai, M. Nagao, M. Kiselev A New Method to Reconstruct Spatial Distribution Function from Radial Distribution Function D. Yokogawa, H. Sato, S. Sakaki Fluids Adsorbed in Random Porous Media: A New Model of Templated Matrices S.L. Zhao, W. Dong Density Correlations in Water and Organic Solvents: A Molecular Dynamics Study L. Zoranic, F. Sokolic, A. Perera |