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Studies Of Solvent Effects By Reaction Field Theory And Monte Carlo Simulation
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Book Synopsis Studies of Solvent Effects by Reaction Field Theory and Monte Carlo Simulation by : Carmen Medina Llanos
Download or read book Studies of Solvent Effects by Reaction Field Theory and Monte Carlo Simulation written by Carmen Medina Llanos and published by . This book was released on 1988 with total page 40 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Solvent Effects and Chemical Reactivity by : Orlando Tapia
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 2006-04-11 with total page 383 pages. 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.
Book Synopsis Theoretical Treatment of Large Molecules and Their Interactions by : Zvonimir B. Maksic
Download or read book Theoretical Treatment of Large Molecules and Their Interactions written by Zvonimir B. Maksic and published by Springer Science & Business Media. This book was released on 2013-03-07 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.
Book Synopsis Solvent Effects on Reaction Rates and Mechanisms by : Edward Stephen Amis
Download or read book Solvent Effects on Reaction Rates and Mechanisms written by Edward Stephen Amis and published by . This book was released on 1966 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Solvent Effects on Reaction Ratyes and mechanisms" is a title that will conjure up visions of different things to different investigators in the field of reaction kinetics. The physical chemist will envision the effects on rates of reactions of dieelectric constant, viscosity, internal cohesion, and externaL pressure as these are iinfluenced by the solvent. The physical-organic chemist will perhaps call to mind acidity, basicity, hydrogen bonding, structure effects, electro-negativity, and solvating ability as related to the solvent. The stricly organic chemist may simplyt think in terms of a medium in which reactants can be made to form products merely because of solubility relations, and his choice of solvent may depend on the ease of obtaining in a reasonable length of time a relatively pure product by extraction or other procedures. And, in fact, the topic includes all these and much more. Some of the phenomena are merely recorded as experimental observations. Some factors are subject to theoretical explanation, but even when theoretically explained or mathematically formulated they may not be sufficiently dominant ti justify the applicaton of the theory. Other effects may not be subject to theoretical explanations but may be included in correlations that are widely applicable. The explanation of some effects may be purely conjectural, but at least give some satisfaction to the seekers of the answer to the question, why? The material presented in the following pages will run the gamut of all the above possibilities.
Book Synopsis Reviews in Computational Chemistry, Volume 7 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 7 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is the seventh volume in the successful series designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise. Each invited author approaches a topic with the aim of helping the reader understand the material, solve problems, and locate key references quickly.
Download or read book Zeitschrift Für Naturforschung written by and published by . This book was released on 1999 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Reviews in Computational Chemistry, Volume 6 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 6 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 6 of the successful series 'Reviews in Computational Chemistry' contains articles of interest to pharmaceutical chemists, biological chemists, chemical engineers, inorganic and organometallic chemists, synthetic organic chemists, polymer chemists, and theoretical chemists. The series is designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise.
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
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 and published by Springer Science & Business Media. This book was released on 2010-07-03 with total page 536 pages. 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.
Book Synopsis Issues in Chemistry and General Chemical Research: 2011 Edition by :
Download or read book Issues in Chemistry and General Chemical Research: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 10508 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Chemistry and General Chemical Research: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Chemistry and General Chemical Research. The editors have built Issues in Chemistry and General Chemical Research: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Chemistry and General Chemical Research in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Chemistry and General Chemical Research: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1992 with total page 1572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1984 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Amide Linkage by : Arthur Greenberg
Download or read book The Amide Linkage written by Arthur Greenberg and published by John Wiley & Sons. This book was released on 2002-11-11 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt: An authoritative reference to an important and ubiquitous chemical linkage The amide linkage is one of the most fundamental and widespread chemical bonds in nature, underlying the properties of a vast array of organic molecules, polymers, and materials, including peptides and proteins. Arthur Greenberg, Curt Breneman, and Joel Liebman's peerless text provides comprehensive coverage of the experimental, structural, and computational findings that shed light on the chemical and physical properties of the amide linkage, as well as its emerging applications in materials and biotechnology. Chapters in The Amide Linkage highlight how this chemical bond factors in the design of enzyme inhibitors, cyclic peptides, antibacterial agents, and emerging nanotechnology applications. This one-of-a-kind study also: * Discusses selected aspects of chemical reactions, structure, bonding, and energetics of the amide bond, including amide rotational barriers, stereochemistry, complexation, spectroscopy, and thermochemistry * Presents specific applications to supramolecular and stereospecific synthesis * Discusses key aspects of peptide and protein chemistry-such as molecular recognition, conformation, and folding-in terms of the amide linkage * Includes chapters contributed by numerous eminent chemists and biochemists Organic, medicinal, polymer, and physical chemists, as well as biochemists and materials scientists, will find The Amide Linkage to be an invaluable addition to their professional libraries.
Book Synopsis Supercritical Fluid Technology (1991) by : Thomas J. Bruno
Download or read book Supercritical Fluid Technology (1991) written by Thomas J. Bruno and published by CRC Press. This book was released on 2017-11-22 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume, we have collected a series of reviews that cover both experimental and theoretical work geared toward the more exact requirements of current SFE applications. While we have artificially divided the volume into experimental and theoretical sections, natural overlaps will be apparent. Many of the papers on experimental and theoretical sections, natural overlaps will be apparent. Many of the papers on experimental technique contain discussions on equation of state correlations. Indeed, a good deal of the experimental work is intimately tied to a mathematical description of fluid mixtures. The theoretical section presents reviews that cover the modern theory of critical phenomena, methods to correlate near critical experimental results and approaches to understanding the behavior of near critical fluids from microscopic theory. It is hoped that the scope of these reviews will provide the reader with the basis to further develop our understanding of the behavior of supercritical fluids.
Book Synopsis Amino Acids, Peptides and Proteins by : R C Sheppard
Download or read book Amino Acids, Peptides and Proteins written by R C Sheppard and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Actenmäßige Darstellung der Appellationssache des Lieut. Joh. Detl. von Lessen wider Dan. Kremer by :
Download or read book Actenmäßige Darstellung der Appellationssache des Lieut. Joh. Detl. von Lessen wider Dan. Kremer written by and published by . This book was released on 1803 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1973 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: