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Solvation Effects on Molecules and Biomolecules

2010-07-03 Science
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Release : 2010-07-03
Genre : Science
Kind : eBook
Book Rating : 703/5 ( reviews)

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Book Synopsis Solvation Effects on Molecules and Biomolecules by : Sylvio Canuto

Download or read book Solvation Effects on Molecules and Biomolecules written by Sylvio Canuto. This book was released on 2010-07-03. Available in PDF, EPUB and Kindle. Book excerpt: 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

2006-04-11 Science
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Release : 2006-04-11
Genre : Science
Kind : eBook
Book Rating : 904/5 ( reviews)

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Book Synopsis Molecular Theory of Solvation by : F. Hirata

Download or read book Molecular Theory of Solvation written by F. Hirata. This book was released on 2006-04-11. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Comparative Effects of Solvation and Pressure on Liquids and Biological Molecules

2003
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Release : 2003
Genre :
Kind : eBook
Book Rating : /5 ( reviews)

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Book Synopsis Comparative Effects of Solvation and Pressure on Liquids and Biological Molecules by :

Download or read book Comparative Effects of Solvation and Pressure on Liquids and Biological Molecules written by . This book was released on 2003. Available in PDF, EPUB and Kindle. Book excerpt:

Solvent Effects and Chemical Reactivity

2006-04-11 Science
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Release : 2006-04-11
Genre : Science
Kind : eBook
Book Rating : 316/5 ( reviews)

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Book Synopsis Solvent Effects and Chemical Reactivity by : Orlando Tapia

Download or read book Solvent Effects and Chemical Reactivity written by Orlando Tapia. This book was released on 2006-04-11. Available in PDF, EPUB and Kindle. Book excerpt: 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.

The Chemical Physics of Solvation

1985 Science
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Release : 1985
Genre : Science
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Book Synopsis The Chemical Physics of Solvation by : Revaz R. Dogonadze

Download or read book The Chemical Physics of Solvation written by Revaz R. Dogonadze. This book was released on 1985. Available in PDF, EPUB and Kindle. Book excerpt: 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.

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