Murau, Austria, 11-16 September 1998
P-1 | V. S. Filinov, Yu. E. Losovik, A. V. Filinov, A. M. Oparin, I. E. Zacharov | Anderson localization of electrons by generalized molecular dynamics method |
P-2 | A. Baranyai, P. T. Cummings | New boundary conditions: Solution of the problems of elongation flow simulations |
P-3 | G. Kronome, I. Szalai, M. Wendland, J. Fischer | Extension of the NpT + test particle method for the calculation of phase equilibria of nitrogen + ethane |
P-4 | V. N. Matveenko, A. A. Manko, V. A. Levchenko | Monte-Carlo and Langevin dynamics simulations of nematic liquid crystal molecules on different surfaces |
P-5 | V. A. Levchenko | The outlook and problems of epitropic liquid crystals developments |
P-6 | J. C. Soetens, C. Millot, P. N. M. Hoang, S. Picaud, C. Girardet | Molecular dynamics study of structural and dynamical properties of water layers adsorbed on MgO (100) |
P-7 | G. Tóth, A. Baranyai | Determination of pair potentials via the Born-Green-Yvon equation using the reverse Monte Carlo method |
P-8 | K. Pasterny, A. Bródka, E. Gwózdz | Properties of a liquid crystal model - polar Gay-Berne particles |
P-9 | R. Lukac, F. J. Vesely | Gay-Berne mixtures |
P-10 | R. Salazar, R. Toral, A. Chakrabarti | Numerical simulation of binary fluid mixtures confined in a model aerogel |
P-11 | A. Jaster, H. Hahn | Numerical simulations of a two-dimensional lattice grain boundary model |
P-12 | R. Witt, L. Sturz, A. Dölle, W. Egger | Anisotropy of the rotational dynamics of planar molecules by NMR methods |
P-13 | H. Stassen, G. Birnbaum | Far infrared absorption in liquid methane |
P-14 | R. Dorka, M. Musso, D. Schiel, G. Döge, A. Asenbaum, D. Keutel, K.-L. Oehme | The non-coincidence effect of the C=O stretching mode in isotopic mixtures of liquid acetone |
P-15 | D. Keutel, F. Seifert, K.-L. Oehme, A. Asenbaum, M. Musso | Experimental evidence for intermolecular vibrational resonance couplings in simple liquids |
P-16 | P. J. Merkling, M. D. Zeidler, P. A. Bopp | Quadrupole coupling constants of methanol in mixtures with CCl4 by molecular dynamics and ab initio calculations |
P-17 | A. Verdaguer, J. A. Padró, J. Trullàs | Molecular dynamics study of the velocity cross-correlations in liquids |
P-18 | U. Balucani, F. Demmel, Ch. Morkel, D. Pasqualini, R. Vallauri | Collective motion in liquid rubidium at increasing temperature |
P-19 | P. O. Westlund, N. A. Usova, U. Cegrell, L. Persson | Diffusion of water along curved bilayers: What can we learn about bilayer curvature from translational diffusion of water molecules and spin relaxation measurements? |
P-20 | J. A. Hayward, A. D. J. Haymet | The ice/water interface: Molecular dynamics simulations of the basal, prism, and {20-21} interfaces |
P-21 | D. Spångberg, M. Wójcik, K. Hermansson, R. Rey, J. T. Hynes | The exchange rate of water molecules around lithium and magnesium ions in aqueous solution from MD simulation |
P-22 | G. Jancsó, L. Cser, P. Jóvari, G. Kali | Interaction of tetramethylurea molecules in aqueous and nonaqueous solvents |
P-23 | L. Delle Site, R. Lynden-Bell, A. Alavi | Ab-initio calculations for water molecules in different phases |
P-24 | I. Bakó, T. Radnai, G. Pálinkás | The structure of acetonitrile-water mixtures studied by the solution X-ray diffraction and theoretical models |
P-25 | I. Bakó, G. Pálinkás, S. Borbély, P. Jóvari, J. C. Dore | Investigation of the structure of liquid pyridine-water mixtures |
P-26 | E. Guardia, R. Pinzón | On the solvation shell of alkali and halide ions in acetonitrile: A computer simulation study |
P-27 | L. Saiz, K. A. Padró, E. Guardia | Structure and dynamics of liquid ethylene glycol. A molecular dynamics simulation study |
P-28 | L. G. MacDowell, C. Vega | Vapour-liquid equilibrium of linear and branched alkanes from a mean field perturbation theory |
P-29 | Sz. Varga, I. Szalai | Phase diagrams of two-dimensional hard convex bodies with square well attractive potential |
P-30 | W. J. Briels, W. K. den Otter | Solvent effect on the isomerisation rate of calix[4]arene studied by molecular dynamics simulation |
P-31 | F. G. Baglin, R. Jones, L. Tingley, T. Palmer | Green chemistry for the 21st century |
P-32 | Lj. Milanovic, H. A. Posch | Lyapunov instability of two-dimensional dumbbell fluids |
P-33 | W. Egger, M. Neumann, H. A. Posch, E. Wilhelm | Thermodynamics and simulations of the liquid mixture benzonitrile+toluene |
P-34 | D. K. Ivanov, H. A. Posch, W. G. Hoover | Application of Smooth Particle Applied Mechanics (SPAM) for the simulation of two-dimensional viscous flows in complex geometries |