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Solvation Effects on Molecules and Biomolecules

Solvation Effects on Molecules and Biomolecules
Author: Sylvio Canuto
Publisher: Springer Science & Business Media
Total Pages: 536
Release: 2010-07-03
Genre: Science
ISBN: 1402082703

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This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.


Molecular Theory of Solvation

Molecular Theory of Solvation
Author: F. Hirata
Publisher: Springer Science & Business Media
Total Pages: 366
Release: 2006-04-11
Genre: Science
ISBN: 1402025904

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Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.


Solvent Effects and Chemical Reactivity

Solvent Effects and Chemical Reactivity
Author: Orlando Tapia
Publisher: Springer Science & Business Media
Total Pages: 383
Release: 2006-04-11
Genre: Science
ISBN: 0306469316

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This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.


Determination of Liquid Water Structure

Determination of Liquid Water Structure
Author: E. Clementi
Publisher: Springer
Total Pages: 132
Release: 1976-11-20
Genre: Science
ISBN:

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One should distinguish between coordination numbers and hydration numbers. Following Bockris


The Chemical Physics of Solvation

The Chemical Physics of Solvation
Author: Revaz R. Dogonadze
Publisher: Elsevier Science & Technology
Total Pages: 834
Release: 1985
Genre: Science
ISBN:

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The importance of solvation as a concept which covers quite generally the interactions between a molecular solute particle and a macroscopic body of surrounding solvent is well recognized. Solvation plays a major role in the distribution of elements in the geo- and hydrosphere, and most chemical and biological processes involve solvated reactants and products, the electronic and molecular structure of which are strongly determined by solvation. This three-volume monograph has been written collectively by 50 authors from 14 countries who are specialists in different areas of solvation science. Part A deals with the theory of solvation; Part B is entirely devoted to spectroscopy of solvation; and Part C covers solvation phenomena in specific physical, chemical and biological systems. The volumes will be an invaluable reference source for physicists, physical chemists and biophysicists undertaking investigations into the diversified and fascinating areas of the physics and chemical physics of solvation at postgraduate and professional research levels.


Labs on Chip

Labs on Chip
Author: Eugenio Iannone
Publisher: CRC Press
Total Pages: 1351
Release: 2018-09-03
Genre: Medical
ISBN: 1351832069

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Labs on Chip: Principles, Design and Technology provides a complete reference for the complex field of labs on chip in biotechnology. Merging three main areas— fluid dynamics, monolithic micro- and nanotechnology, and out-of-equilibrium biochemistry—this text integrates coverage of technology issues with strong theoretical explanations of design techniques. Analyzing each subject from basic principles to relevant applications, this book: Describes the biochemical elements required to work on labs on chip Discusses fabrication, microfluidic, and electronic and optical detection techniques Addresses planar technologies, polymer microfabrication, and process scalability to huge volumes Presents a global view of current lab-on-chip research and development Devotes an entire chapter to labs on chip for genetics Summarizing in one source the different technical competencies required, Labs on Chip: Principles, Design and Technology offers valuable guidance for the lab-on-chip design decision-making process, while exploring essential elements of labs on chip useful both to the professional who wants to approach a new field and to the specialist who wants to gain a broader perspective.


Electron Transfer

Electron Transfer
Author: Joshua Jortner
Publisher: John Wiley & Sons
Total Pages: 759
Release: 2009-09-09
Genre: Science
ISBN: 0470142197

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an integrated approach to electron transfer phenomena This two-part stand-alone volume in the prestigious Advances in Chemical Physics series provides the most comprehensive overview of electron transfer science today. It draws on cutting-edge research from diverse areas of chemistry, physics, and biology-covering the most recent developments in the field, and pointing to important future trends. This second volume offers the following sections: * Solvent control, including ultrafast solvation dynamics and related topics * Ultrafast electron transfer and coherence effects * Molecular electronics * Electron transfer and exciplex chemistry * Biomolecules-from electron transfer tubes to kinetics in a DNA environment Part One addresses the historical perspective, electron transfer phenomena in isolated molecules and clusters, general theory, and electron transfer kinetics in bridged compounds. Electron transfer science has seen tremendous progress in recent years. Technological innovations, most notably the advent of femtosecond lasers, now permit the real-time investigation of intramolecular and intermolecular electron transfer processes on a time scale of nuclear motion. New scientific information abounds, illuminating the processes of energy acquisition, storage, and disposal in large molecules, clusters, condensed phase, and biophysical systems. Electron Transfer: From Isolated Molecules to Biomolecules is the first book devoted to the exciting work being done in nonradiative electron transfer dynamics today. This two-part edited volume emphasizes the interdisciplinary nature of the field, bringing together the contributions of pioneers in chemistry, physics, and biology. Both theoretical and experimental topics are featured. The authors describe modern approaches to the exploration of different systems, including supersonic beam techniques, femtosecond laser spectroscopy, chemical syntheses, and methods in genetic and chemical engineering. They examine applications in such areas as supersonic jets, solvents, electrodes, semi- conductors, respiratory and enzymatic protein systems, photosynthesis, and more. They also relate electron transfer and radiationless transitions theory to pertinent physical phenomena, and provide a conceptual framework for the different processes. Complete with over two hundred illustrations, Part Two opens with solvent control issues, including electron transfer reactions and ultrafast solvation dynamics. Other topics include ultrafast electron transfer and coherence effects, molecular electronics, and electron transfer in exciplex chemistry. This volume concludes with a section on biomolecules-from electron transfer tubes to experimental electron transfer and transport in DNA. Timely, comprehensive, and authoritative, Electron Transfer: From Isolated Molecules to Biomolecules is an essential resource for physical chemists, molecular physicists, and researchers working in nonradiative dynamics today.


Molecular Theory of Solvation

Molecular Theory of Solvation
Author: F Hirata
Publisher: Springer
Total Pages: 372
Release: 2014-01-15
Genre:
ISBN: 9789401739795

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Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.