Download or read book Quantitative Treatments of Solute Solvent Interactions written by P. Politzer and published by . This book was released on 1994-12-07 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary objective of this volume, the first in a new series entitled Theoretical and Computational Chemistry, is to survey some effective approaches to understanding, describing and predicting ways in which solutes and solvents interact and the effects they have upon each other. The treatment of solute/solvent interactions that is presented emphasizes a synergism between theory and experiment. Data obtained experimentally are used as a basis for developing quantitative theoretical models that permit the correlation and interpretation of the data, and also provide a predictive capability. The latter being of course a key motivation for these efforts. Linear solvation energy relationships have been quite successful in this respect and accordingly receive considerable attention. Other effective approaches, including computational ones, are also being pursued, and are discussed in several chapters. This is an area that is continually evolving, and it is hoped that the present volume will convey a sense of its dynamic nature.
Download or read book Highlights in Solute Solvent Interactions written by Wolfgang Linert and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most organic molecules retain their integrity when dissolved, and even though in such cases the effects exerted by solvents are, in the language of the coordination chemist, of the "outer sphere" kind, the choice of solvent can be critical to the successful outcome of an operation or preparation. Solubilities of reactants and products must be taken into account, and even if the organic principals in the reactions retain their integrity, many of the reagents are electrolytes, and their state of aggregation will affect their reactivity. In testifying to the importance of understanding solute-solvent interactions I draw attention to a large class of inorganic species for which the involvement in the chemical and physical properties by the solvent is even more deeply seated. It is comprised by the large body of metal atoms in low oxidation states for which solvent molecules intervene as reagents. At the same time, because the ions carry charges, the effects arising from outer sphere interactions are usually greater than they are for neutral molecules. To cite an example: when FeCb(s) is dissolved in water to form a dilute - say O. OlO- solution there is a complete reorganization of the coordination sphere of the cation. Whereas in the solid each cation is surrounded by six chloride ions, in the solution the dominant form is [Fe(H20)6]3+ followed by [Fe(H20)sCI]2+, [Fe(H20)4CI2]+, etc. in rapidly decreasing abundance.
Download or read book Solute solvent Interactions written by Johannes Francois Coetzee and published by . This book was released on 1969 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Modern Physical Organic Chemistry written by Eric V. Anslyn and published by University Science Books. This book was released on 2006 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt: In additionto covering thoroughly the core areas of physical organic chemistry -structure and mechanism - this book will escortthe practitioner of organic chemistry into a field that has been thoroughlyupdated.
Download or read book Solute solvent Interactions written by Johannes Francois Coetzee and published by . This book was released on 1969 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Handbook of Solvents written by George Wypych and published by ChemTec Publishing. This book was released on 2001 with total page 1446 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive, extensive textual analysis of the principles of solvent selection and use, the handbook is intended to help formulators select ideal solvents, safety coordinators to protect workers, and legislators and inspectors to define and implement technically correct public safeguards for use, handling, and disposal.
Download or read book Protein Solvent Interactions written by Roger Gregory and published by CRC Press. This book was released on 2024-11-01 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work covers advances in the interactions of proteins with their solvent environment and provides fundamental physical information useful for the application of proteins in biotechnology and industrial processes. It discusses in detail structure, dynamic and thermodynamic aspects of protein hydration, as well as proteins in aqueous and organic solvents as they relate to protein function, stability and folding.
Download or read book Ion Solvation written by Y. Marcus and published by John Wiley & Sons. This book was released on 1985 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical reactions generally take place in solution and often involve ions. The behaviour of ions in solution, manifested through ion solvation, is therefore of prime interest in chemistry. This book considers in depth the phenomenology of ion solvation and the models and interpretations that have been proposed as the physical causes for the observed phenomena. It contains a thorough discussion of the statistical thermodynamic background of the solvation process from which a discussion of the actual thermodynamics is developed. This, in turn, serves as a background to the structural and kinetic features of ion solvation.
Download or read book Handbook of Solubility Data for Pharmaceuticals written by Abolghasem Jouyban and published by CRC Press. This book was released on 2009-08-26 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aqueous solubility is one of the major challenges in the early stages of drug discovery. One of the most common and effective methods for enhancing solubility is the addition of an organic solvent to the aqueous solution. Along with an introduction to cosolvency models, the Handbook of Solubility Data for Pharmaceuticals provides an extensive datab
Download or read book Solvent Effects and Chemical Reactivity written by Orlando Tapia and published by Springer Science & Business Media. This book was released on 2003-07-31 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.
Download or read book COSMO RS written by Andreas Klamt and published by Elsevier. This book was released on 2005-07-26 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. - The only book currently available on COSMO-RS technique - Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics - Includes illustrative examples of the COSMOtherm program
Download or read book Chemistry written by Bruce Averill and published by . This book was released on 2007 with total page 1233 pages. Available in PDF, EPUB and Kindle. Book excerpt: Emphasises on contemporary applications and an intuitive problem-solving approach that helps students discover the exciting potential of chemical science. This book incorporates fresh applications from the three major areas of modern research: materials, environmental chemistry, and biological science.
Download or read book Chemistry Life the Universe and Everything written by Melanie Cooper and published by . This book was released on 2014-06-27 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: As you can see, this "molecular formula is not very informative, it tells us little or nothing about their structure, and suggests that all proteins are similar, which is confusing since they carry out so many different roles.
Download or read book Solvent Mixtures written by Yitzhak Marcus and published by CRC Press. This book was released on 2002-09-10 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: Compiling, comparing, and analyzing research from a wide range of abstracts, journal articles, and Web sites, this reference examines the properties, function, and behavior of binary, ternary, and multicomponent mixtures in the presence and absence of solutes. The author uniformly presents extensive data on the properties of solvent mixtures and describes their structures and interactions. He details the impact of preferential solvation on the environment, action, and components of chemical systems. The book highlights experimental approaches to determine when, and to what extent, preferential solvation has taken place and models for organic, ionic, macromolecular, and biochemical solutes.
Download or read book Solute solvent Interactions written by Johannes Francois Coetzee and published by . This book was released on 1969 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Encyclopedia of Geochemistry written by William M. White and published by Springer. This book was released on 2018-07-24 with total page 1680 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Encyclopedia is a complete and authoritative reference work for this rapidly evolving field. Over 200 international scientists, each experts in their specialties, have written over 330 separate topics on different aspects of geochemistry including geochemical thermodynamics and kinetics, isotope and organic geochemistry, meteorites and cosmochemistry, the carbon cycle and climate, trace elements, geochemistry of high and low temperature processes, and ore deposition, to name just a few. The geochemical behavior of the elements is described as is the state of the art in analytical geochemistry. Each topic incorporates cross-referencing to related articles, and also has its own reference list to lead the reader to the essential articles within the published literature. The entries are arranged alphabetically, for easy access, and the subject and citation indices are comprehensive and extensive. Geochemistry applies chemical techniques and approaches to understanding the Earth and how it works. It touches upon almost every aspect of earth science, ranging from applied topics such as the search for energy and mineral resources, environmental pollution, and climate change to more basic questions such as the Earth’s origin and composition, the origin and evolution of life, rock weathering and metamorphism, and the pattern of ocean and mantle circulation. Geochemistry allows us to assign absolute ages to events in Earth’s history, to trace the flow of ocean water both now and in the past, trace sediments into subduction zones and arc volcanoes, and trace petroleum to its source rock and ultimately the environment in which it formed. The earliest of evidence of life is chemical and isotopic traces, not fossils, preserved in rocks. Geochemistry has allowed us to unravel the history of the ice ages and thereby deduce their cause. Geochemistry allows us to determine the swings in Earth’s surface temperatures during the ice ages, determine the temperatures and pressures at which rocks have been metamorphosed, and the rates at which ancient magma chambers cooled and crystallized. The field has grown rapidly more sophisticated, in both analytical techniques that can determine elemental concentrations or isotope ratios with exquisite precision and in computational modeling on scales ranging from atomic to planetary.
Download or read book Physical Chemistry of Electrolyte Solutions written by Josef Barthel and published by Springer Science & Business Media. This book was released on 1998-04 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim and purpose of this book is a survey of our actual basic knowledge of electrolyte solutions. It is meant for chemical engineers looking for an introduction to this field of increasing interest for various technologies, and for scientists wishing to have access to the broad field of modern electrolyte chemistry.
