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Author: Orlando Tapia
Publisher: Springer Science & Business Media
ISBN: 0306469316
Category : Science
Languages : en
Pages : 383
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Book Description
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.
Author: Orlando Tapia
Publisher: Springer Science & Business Media
ISBN: 0306469316
Category : Science
Languages : en
Pages : 383
Get Book Here
Book Description
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.
Author: Valérie Mireault
Publisher: Nova Science Publishers
ISBN: 9781536182262
Category :
Languages : en
Pages : 285
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Book Description
In Solvent Effects in Chemistry: Advances in Applications and Research, a critical review of solvent influence on the performance of metal catalysts in the hydrogenation of carbonyl compounds, specifically unsaturated aldehydes, ketones and ketoesters, is provided.Additionally, the effects of solvent on the kinetics and mechanism of different reactions, stability, and sensitivity of the nanostructures are investigated.The uses of a large of variety of solvents varying from non-polar low basic solvents to polar strong basic solvents are discussed, showing that the properties of different solvents strongly influence the product composition of both studied reactions.The effects of solvent on the isomerization of monoterpenes epoxides as α- and β-pinene epoxide, limonene epoxide, verbenol epoxide, and nopol epoxide are explained from molecular and mechanistic points of view.The concluding study explores how heterolytic bond dissociation forms ionic species, while the corresponding homolytic bond dissociation results in the formation of neutral radical species.
Author: George Wypych
Publisher: ChemTec Publishing
ISBN: 1895198240
Category : Science
Languages : en
Pages : 1446
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Book Description
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.
Author: Pratim Kumar Chattaraj
Publisher: CRC Press
ISBN: 1420065440
Category : Science
Languages : en
Pages : 612
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Book Description
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
Author: José A. Martinho Simões
Publisher: Springer Science & Business Media
ISBN: 9780751403787
Category : Science
Languages : en
Pages : 328
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Book Description
The current volume consists of eight chapters which interweave various aspects of the structure, energetics and reactivity of organic free radicals, all combining pedagogical insights with current research. The first is by Walling in which a personalized overview is given by one of the modern pioneers of the discipline. In the next two chapters, Tsang, and Traeger and Kompe, present key thermochemical and kinetic quantities from the complementary vantage points of the studies of neutral and cationic species. The fourth chapter by Francisco and Montgomery discusses the armamentarium of modern theory as applied to species with unpaired electrons, while the next chapter by Goodman presents the theory, methodology and results from photoacoustic calorimetry, a novel and powerful experimental technique. Martinho Simoes and Minas da Piedade interrelate organometallic and free radical chemistry, while Greenberg and Liebman consider resonance energy and rearrangements as applied to small molecules and enzyme cofactors alike. The volume ends with the chapter by Tanko and Suleman, which describes the surprising and diverse solvent effects which modulate free radical chem istry. This volume will make it apparent to entry-level graduate students and senior researchers alike that much is known and much remains to be done in both the qualitative understanding and quantitative insights of the chemistry of organic free radicals. Jose Artur Martinho Simoes Arthur Greenberg Joel F. Liebman vii Editorial Advisory Board WESTON T. BORDEN ALAN P.
Author: Kenichi Fukui
Publisher: World Scientific
ISBN: 9812795847
Category : Science
Languages : en
Pages : 563
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Book Description
A collection of selected papers on the Frontier Orbital Theory, with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition.
Author: Luis Arnaut
Publisher: Elsevier
ISBN: 0080469345
Category : Science
Languages : en
Pages : 563
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Book Description
Chemical Kinetics bridges the gap between beginner and specialist with a path that leads the reader from the phenomenological approach to the rates of chemical reactions to the state-of-the-art calculation of the rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. For the beginner provides the basics: the simplest concepts, the fundamental experiments, and the underlying theories. For the specialist shows where sophisticated experimental and theoretical methods combine to offer a panorama of time-dependent molecular phenomena connected by a new rational. Chemical Kinetics goes far beyond the qualitative description: with the guidance of theory, the path becomes a reaction path that can actually be inspected and calculated. But Chemical Kinetics is more about structure and reactivity than numbers and calculations. A great emphasis in the clarity of the concepts is achieved by illustrating all the theories and mechanisms with recent examples, some of them described with sufficient detail and simplicity to be used in general chemistry and lab courses.* Looking at atoms and molecules, and how molecular structures change with time. * Providing practical examples and detailed theoretical calculations* Of special interest to Industrial Chemistry and Biochemistry
Author: DavidN.-S. Hon
Publisher: Routledge
ISBN: 1351461478
Category : Science
Languages : en
Pages : 388
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Book Description
This volume emphasizes the growing need for wood products with advanced engineering properties. It details the fundamental principles of cellulose technology and presents current techniques to modifying the basic chemistry of lignocellulosic materials. The work: discusses the cost-efficient use of cellulose derivatives in a variety of commodities; highlights the chemical modification of wood by methods such as etherification, esterification and thermoplasticization; considers recent progress in the lignocellulosic liquefaction of wood; and more.
Author: George Wypych
Publisher: Elsevier
ISBN: 1774670410
Category : Technology & Engineering
Languages : en
Pages : 997
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Book Description
This 4th edition of Handbook of Solvents, Volume 1, contains the most recent findings and trends in solvent applications. It is a comprehensive survey of the science of solvents and their properties, covering all aspects of solvent behavior that are relevant to their use in chemical and related industries including agricultural and technical processes, inorganic synthesis and materials chemistry, and more. Divided into two volumes, this first volume covers high-level information on the physical chemical properties of the most relevant solvent systems. Each chapter is focused on a specific aspect of solvent properties that determine its selection, such as the effect on properties of solutes and solutions, properties of different groups of solvents, and the summary of their applications' effect on health and the environment (given in tabulated form). Also covered is swelling of solids in solvents, solvent diffusion and drying processes, nature of the interaction of solvent and solute in solutions, acid-base interactions, the effect of solvents on spectral and other electronic properties of solutions, the effect of solvents on the rheology of the solution, aggregation of solutes, permeability, molecular structure, crystallinity, configuration, conformation of dissolved high molecular weight compounds, and the effect of solvents on chemical reactions and reactivity of dissolved substances. With insight from specialists in a broad array of different areas and written with an interdisciplinary audience in mind, this thoroughly revised 4th edition provides readers with a complete overview of all the organic solvents available for industrial applications today. The book contains numerous references to key sources of more detailed information, and together with Handbook of Solvents Volume 2: Use, Health, and Environment; Databook of Green Solvents; and Databook of Solvents, represents the most comprehensive and up-to-date information ever published on solvents. - Provides key insights that will help engineers and scientists select the best solvent for the job - Includes practical information and ideas on how to improve existing processes involving solvents - Presents the latest advances in solvent technology and their applications
Author: Gennadiĭ Efremovich Zaikov
Publisher: Nova Publishers
ISBN: 9781600211287
Category : Science
Languages : en
Pages : 216
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Book Description
Frontiers in Physical Organic Chemistry
