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

Preface. Intermolecular interactions and cooperative effects from electronic structure calculations: an effective means for developing interaction potentials for condensed phase simulations; S.S. Xantheas. Models in theory of molecular liquid mixtures: structure, dynamics and physicochemical properties; V.A. Durov. Classical versus quantum mechanical simulations: the accuracy of computer experiments in solution chemistry; B.M. Rode, et al. Basic concepts and trends in ab initio molecular dynamics; M.E. Tuckerman. Concepts of ionic solvation; H. Krienke. Real time visualizing of atomic motions in dense phases; S. Bratos, et al. Reverse Monte Carlo analyses of diffraction data on molecular liquids; L. Pusztai. Structural change and nucleation characteristics of water/ice in confined geometry; J. Dore, et al. Solvation structure of chloride and iodide atoms studied by means of EXAFS using a compact synchrotron radiation source; K. Ozutsumi, H. Ohtaki. Ultrasonically induced birefringence in liquids and solutions; H. Nomura, et al. Novel approaches in spectroscopy of interparticle interactions. Vibrational line profiles and anomalous non-coincidence effects; S.A. Kirillov. Picosecond dynamic processes of molecular liquids in confined spaces. A review of results in porous glasses; J. Yarwood. Photoinduced redox processes in phthalocyanine derivatives by resonance Raman spectroscopy and time resolved techniques; H. Abramczyk, I. Szymczyk. Dielectric spectroscopy of solutions; R. Buchner. Dynamics in intra-molecular polymer mixtures; P. Holmqvist, G. Fytas. Visco-elastic behavior and small angle scattering of complex fluids; H. Versmold, et al. Computer simulation studies of solvation dynamics in mixtures; B.M. Ladanyi. Using simulations to study Vibrational relaxation of molecules in liquids; R.M. Lynden-Bell, F.S. Zhang. Computational methods for analyzing the intermolecular resonant vibrational interactions in liquids and the noncoincidence effect of vibrational spectra; H. Torii. Multipole-induced dipole contributions to the far-infrared spectra of diatomic molecules in non-polar solvents; A. Medina, et al. Recent advances in the understanding of hydrophobic and hydrophilic effects: A theoretical and computer simulation perspective; R.L. Mancera, et al. Molecular simulations of Nafion membranes in the presence of polar solvents; D.A. Mologin, et al. Computer simulation of mesogens with ab initio interaction potentials: an application to oligophenyls; I. Cacelli, et al. Phase transformations and orientational ordering in chemically disordered polymers - a modern primer; L. Gutman, E. Shakhnovich. Conformational transitions in proteins and membranes; J.C. Smith, et al. Structure, thermodynamics and critical properties of ionic fluids; W. Schröer, H. Weingärtner. Index.