[PDF] Subpicosecond Solvation Dynamics In Polar Solvents eBook

Author : Benedetta Mennucci
Publisher : John Wiley & Sons
Page : 636 pages
File Size : 35,47 MB
Release : 2008-02-28
Category : Science
ISBN : 9780470515228

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This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation Solvation continuum models are treated using the different points of view from experts belonging to different research fields Can be read at two levels: one, more introductive, and the other, more detailed (and more technical), on specific physical and numerical aspects involved in each issue and/or application Possible limitations or incompleteness of models is pointed out with, if possible, indications of future developments Four-colour representation of the computational modeling throughout.

Author : Bernard Valeur
Publisher : Springer Science & Business Media
Page : 496 pages
File Size : 12,43 MB
Release : 2012-12-06
Category : Science
ISBN : 364256853X

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This first volume in the new Springer Series on Fluorescence brings together fundamental and applied research from this highly interdisciplinary and field, ranging from chemistry and physics to biology and medicine. Special attention is given to supramolecular systems, sensor applications, confocal microscopy and protein-protein interactions. This carefully edited collection of articles is an invaluable tool for practitioners and novices.

Author : Chang Q Sun
Publisher : Springer
Page : 302 pages
File Size : 15,62 MB
Release : 2019-07-03
Category : Science
ISBN : 981138441X

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This book highlights the latest advances and outlines future trends in aqueous solvation studies from the perspective of hydrogen bond transition by charge injection, which reconciles the solvation dynamics, molecular nonbond interactions, and the extraordinary functionalities of various solutes on the solution bond network and properties. Focus is given on ionic and dipolar electrostatic polarization, O:H nonbond interaction, anti-HB and super-HB repulsion, and solute-solute interactions. Its target audience includes researchers, scientists, and engineers in chemistry, physics, surface and interface science, materials science and engineering.

Author : Jannis Samios
Publisher : Springer Science & Business Media
Page : 548 pages
File Size : 50,25 MB
Release : 2013-11-11
Category : Science
ISBN : 1402023847

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The unique behavior of the "liquid state", together with the richness of phenomena that are observed, render liquids particularly interesting for the scientific community. Note that the most important reactions in chemical and biological systems take place in solutions and liquid-like environments. Additionally, liquids are utilized for numerous industrial applications. It is for these reasons that the understanding of their properties at the molecular level is of foremost interest in many fields of science and engineering. What can be said with certainty is that both the experimental and theoretical studies of the liquid state have a long and rich history, so that one might suppose this to be essentially a solved problem. It should be emphasized, however, that although, for more than a century, the overall scientific effort has led to a considerable progress, our understanding of the properties of the liquid systems is still incomplete and there is still more to be explored. Basic reason for this is the "many body" character of the particle interactions in liquids and the lack of long-range order, which introduce in liquid state theory and existing simulation techniques a number of conceptual and technical problems that require specific approaches. Also, many of the elementary processes that take place in liquids, including molecular translational, rotational and vibrational motions (Trans. -Rot. -Vib. coupling), structural relaxation, energy dissipation and especially chemical changes in reactive systems occur at different and/or extremely short timescales.

Author :
Publisher :
Page : 16 pages
File Size : 15,4 MB
Release : 1991
Category :
ISBN :

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Novel measurements on the microscopic solvation dynamics of coumarin probes in several simple polar solvents and mixtures have been made using the time dependent fluorescence Stokes shift technique. The microscopic solvent relaxation function, C(t), is observed to be poorly modeled by a single exponential decay in many cases. The average experimental solvation times, for pure solvents and binary solvent mixtures are close to values predicted by dielectric continuum theory. The results suggest that molecular motion of solvent molecules near the solute can be responsible for microscopic solvation components of C(t) that are not predicted using bulk dielectric data of the neat solvent and the dielectric continuum theory.

Author : Christiane Ferradini
Publisher : CRC Press
Page : 454 pages
File Size : 46,87 MB
Release : 1991-08-05
Category : Science
ISBN : 9780849369629

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This book provides a comprehensive review of the present knowledge and current problems concerning physical-chemical aspects of the behavior of excess electrons in various media. The book's 13 chapters strike a balance between theoretical and experimental accounts and provide in-depth presentations of specific subjects. Among the several topics discussed in this stimulating volume are primary interactions, transport, and relaxation of excess electrons of a few tens of electron-Volts in various solid and liquid materials; energetics and transport properties of electrons after thermalization in non-polar dielectric liquids; quantum simulation methods; and electron solvation in polar liquids and of excess electrons trapped in polar matrices at low temperature. Applications of these concepts are discussed as well, including hot electron transport in silicon dioxide, the fate of excess electrons created in polar dielectric liquids by photoelectrochemical methods or by cathodic generation, and excess electron production and decay in organic microheterogeneous systems. Researchers, instructors, and engineers working in the radiation sciences, condensed-matter physics, chemical physics, biophysics, photochemistry, and the biochemistry of electron transfer and electrochemistry should consider this book to be an invaluable reference resource.

Author : B Bagchi
Publisher : World Scientific
Page : 249 pages
File Size : 18,86 MB
Release : 1991-12-31
Category :
ISBN : 9814611247

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Understanding and manipulating the properties of materials naturally occurring in our world and artificially produced by modern technologies requires detailed information on their properties on the atomic scale. This information is the basis for any kind of research in physics, chemistry, biology, engineering, metallurgy, and ceramics. Among the various experimental methods, neutron and photon scattering have become the key techniques of choice.This book provides an overview of the complementarity between neutron and synchrotron x-ray scattering. The most important topics are covered, including structure determination, magnetic correlations, polymer dynamics, thin films and multilayers, photoemission studies, etc; they are thoroughly introduced and discussed by experts from both the experimental and the theoretical side.