2004, Vol. 76, Issue 1
European Molecular Liquids Group (EMLG) Annual Meeting on the Physical Chemistry of Liquids: Novel Approaches to the Structure, Dynamics of Liquids: Experiments, Theories, and Simulation, Rhodes, Greece, 7–15 September 2002
Models of liquid mixtures: Structure, dynamics, and properties
p. 1 [Details + Abstract] [Full text - pdf 221 kB]
Are isotopic mixtures ideal?
p. 11 [Details + Abstract] [Full text - pdf 151 kB]
Structure and criticality of ionic fluids
p. 19 [Details + Abstract] [Full text - pdf 208 kB]
"Morphing" of ab initio-based interaction potentials to spectroscopic accuracy: Application to Cl-(H2O)
p. 29 [Details + Abstract] [Full text - pdf 150 kB]
Ab initio QM/MM MD simulations of the hydrated Ca2+ ion
p. 37 [Details + Abstract] [Full text - pdf 241 kB]
Solid-state proton conduction: An ab initio molecular dynamics investigation of ammonium perchlorate doped with neutral ammonia
p. 49 [Details + Abstract] [Full text - pdf 278 kB]
Thermodynamical, structural, and dielectric properties of molecular liquids from integral equation theories and from simulations
p. 63 [Details + Abstract] [Full text - pdf 185 kB]
Polar solvation dynamics: A combination of the reference interaction-site model and mode-coupling theories
p. 71 [Details + Abstract] [Full text - pdf 167 kB]
Inelastic X-ray scattering and high-frequency dynamics of molecular liquids
p. 79 [Details + Abstract] [Full text - pdf 357 kB]
Application of a compact synchrotron radiation facility to studies on the structure of solvated chloride and iodide ions in various solvents
p. 91 [Details + Abstract] [Full text - pdf 235 kB]
Ultrasonically induced birefringence in polymer solutions
p. 97 [Details + Abstract] [Full text - pdf 206 kB]
External double reference method to study concentration and temperature dependences of chemical shifts determined on a unified scale
p. 105 [Details + Abstract] [Full text - pdf 214 kB]
Dynamics and metastable surface structure of double atomic layer of water molecules and ions at the interface between KBr(c) and water
p. 115 [Details + Abstract] [Full text - pdf 617 kB]
Dynamics and structure of an amphiphilic triblock copolymer of styrene and 5-(N,N-diethylamino) isoprene in selective solvents
p. 123 [Details + Abstract] [Full text - pdf 386 kB]
Supercritical water: Local order and molecular dynamics
p. 133 [Details + Abstract] [Full text - pdf 189 kB]
Local density inhomogeneities detected by Raman scattering in supercritical hexafluorobenzene
p. 141 [Details + Abstract] [Full text - pdf 201 kB]
Critical Raman line shape behavior of fluid nitrogen
p. 147 [Details + Abstract] [Full text - pdf 294 kB]
Raman noncoincidence effect: A spectroscopic manifestation of the intermolecular vibrational coupling in dipolar molecular liquids
p. 157 [Details + Abstract] [Full text - pdf 328 kB]
Spectroscopy of interparticle interactions in ionic and molecular liquids: Novel approaches
p. 171 [Details + Abstract] [Full text - pdf 220 kB]
Peripheral substituent and solvent effects on the aggregation and photochemical properties of copper(II)phthalocyanine and copper(II)phthalocyanine-3,4',4'',4'''-tetrasulfonic anion
p. 183 [Details + Abstract] [Full text - pdf 211 kB]
Derivation of a molecular mechanics force field for cholesterol
p. 189 [Details + Abstract] [Full text - pdf 225 kB]
Structure of the porphyrazine monolayer at the air-water interface: Computer simulation
p. 197 [Details + Abstract] [Full text - pdf 243 kB]
Translational and rotational dynamics in supercritical methanol from molecular dynamics simulation
p. 203 [Details + Abstract] [Full text - pdf 288 kB]
Origin of the enhanced structural and reorientational relaxation rates in the presence of relatively weak dc electric fields
p. 215 [Details + Abstract] [Full text - pdf 217 kB]
Transport properties of diatomic ions in moderately dense gases in an electrostatic field
p. 223 [Details + Abstract] [Full text - pdf 198 kB]
Calculation of the free energy of solvation from molecular dynamics simulations
p. 231 [Details + Abstract] [Full text - pdf 176 kB]
Vibration-rotation spectra of hydrogen halides in rare-gas liquids: Q-branch absorption
p. 241 [Details + Abstract] [Full text - pdf 198 kB]
Pressure dependence of the liquid structure and the Raman noncoincidence effect of liquid methanol revisited
p. 247 [Details + Abstract] [Full text - pdf 249 kB]
Molecular structure, reorientational dynamics, and intermolecular interactions in the neat ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate
p. 255 [Details + Abstract] [Full text - pdf 222 kB]