Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations

Intermolecular interactions and cooperative effects from electronic structure calculations: An effective means for developing interaction potentials for condensed phase simulations.- Models in theory of molecular liquid mixtures: Structure, Dynamics and physicochemical properies.- Classical versus quantum mechanical simulations: The accuracy of computer experiments in solution chemistry.- Basic concepts and trends in ab initio molecular dynamics.- Concepts of ionic solvation.- Real time visualizing of atomic motions in dense phases.- Reverse Monte Carlo analyses of diffraction data on molecular liquids.- Structural change and nucleation characteristics of water/ice in confined geometry.- Solvation structure of chloride and iodide ions studied by means of EXAFS using a compact synchrotron radiation source.- Ultrasonically induced birefringence in liquids and solutions.- Novel approaches in spectroscopy of interparticle interactions. Vibrational line profiles and anomalous non-coincidence effects.- Picosecond dynamic processes of molecular liquids in confined spaces. A review of results in porous glasses.- Photoinduced redox processes in phthalocyanine derivatives by resonance Raman Spectroscopy and time resolved techniques.- Dielectric Spectroscopy of Solutions.- Dynamics in intra-molecular polymer mixtures.- Visco-elastic behavior and small angle scattering of complex fluids.- Computer simulation studies of solvation dynamics in mixtures.- Using simulations to study vibrational relaxation of molecules in liquids.- Computational methods for analyzing the intermolecular resonant vibrational interactions in liquids and the noncoincidence effect of vibrational spectra.- Multipole-induced dipole contributions to the far-infrared spectra of diatomic molecules in non-polar solvents.- Recent advances in the understanding of hydrophobic and hydrophilic effects: A theoretical and computer simulation perspective.- Molecular simulations of Nafion membranes in the presence of polar solvents.- Computer simulation of mesogens with ab initio interaction potentials: An application to oligophenyls.- Phase transformations and orientational ordering in chemically disordered polymers — a modern primer.- Conformational Transitions in Proteins and Membranes.- Structure, thermodynamics and critical properties of ionic fluids.