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

Chapter 1 Intermolecular Interactions and Cooperative Effects from Electronic Structure Calculations: An Effective Means for Developing Interaction Potentials for Condensed Phase Simulations

Chapter 2 Models in Theory of Molecular Liquid Mixtures: Structure, Dynamics, and Physicochemical Properties

Chapter 3 Classical Versus Quantum Mechanical Simulations: The Accuracy of Computer Experiments in Solution Chemistry

Chapter 4 Basic Concepts and Trends in ab Initio Molecular Dynamics

Chapter 5 Concepts of Ionic Solvation

Chapter 6 Real Time Visualization of Atomic Motions in Dense Phases

Chapter 7 Reverse Monte Carlo Analyses of Diffraction Data on Molecular Liquids

Chapter 8 Structural Change and Nucleation Characteristics of Water/Ice in Confined Geometry

Chapter 9 Solvation Structure of Chloride and Iodide Ions Studied by Means of Exafs Using a Compact Synchrotron Radiation Source

Chapter 10 Ultrasonically Induced Birefringence in Liquids and Solutions

Chapter 11 Novel Approaches in Spectroscopy of Interparticle Inter-Actions. Vibrational Line Profiles and Anomalous Non-Coincidence Effects

Chapter 12 Picosecond Dynamic Processes of Molecular Liquids in Confined Spaces — A Review of Results in Porous Glasses

Chapter 13 Photoinduced Redox Processes in Phthalocyanine Derivatives by Resonance Raman Spectroscopy and Time Resolved Techniques

Chapter 14 Dielectric Spectroscopy of Solutions

Chapter 15 Dynamics in Intra-Molecular Polymer Mixtures

Chapter 16 Visco-Elastic Behavior and Small Angle Scattering of Complex Fluids

Chapter 17 Computer Simulation Studies of Solvation Dynamics in Mixtures

Chapter 18 Using Simulations to Study Vibrational Relaxation of Molecules in Liquids

Chapter 19 Computational Methods for Analyzing the Intermolecular Resonant Vibrational Interactions in Liquids and the Noncoincidence Effect of Vibrational Spectra

Chapter 20 Multipole — Induced Dipole Contributions to the Far-Infrared Spectra of Diatomic Molecules in Non-Polar Solvents

Chapter 21 Recent Advances in the Understanding of Hydrophobic and Hydrophilic Effects: A Theoretical and Computer Simulation Perspective

Chapter 22 Molecular Simulations of Nafion Membranes in the Presence of Polar Solvents

Chapter 23 Computer Simulation of Mesogens with AB Initio Interaction Potentials

Chapter 24 Phase Transformations and Orientational Ordering in Chemically Disordered Polymers — a Modern Primer

Chapter 25 Conformational Transitions in Proteins and Membranes

Chapter 26 Structure, Thermodynamics and Critical Properties of Ionic Fluids