Chemical Reactivity

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Publisher : Elsevier
ISBN 13 : 032390257X
Total Pages : 606 pages
Book Rating : 4.3/5 (239 download)

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Book Synopsis Chemical Reactivity by : Savas Kaya

Download or read book Chemical Reactivity written by Savas Kaya and published by Elsevier. This book was released on 2023-05-26 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes. Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM. Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis. Provides readers with the key information needed to gain a good overview of contemporary chemical reactivity studies and a clear understanding of the theory behind state-of-the-art methods in the field Highlights advances in the computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry Provides comprehensive coverage by consolidating the knowledge of many well-known researchers in the field from around the world

Chemical Structure and Reactivity

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Publisher : Oxford University Press
ISBN 13 : 0199604134
Total Pages : 896 pages
Book Rating : 4.1/5 (996 download)

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Book Synopsis Chemical Structure and Reactivity by : James Keeler

Download or read book Chemical Structure and Reactivity written by James Keeler and published by Oxford University Press. This book was released on 2013-11 with total page 896 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Structure and Reactivity: An Integrated Approach rises to the challenge of depicting the reality of chemistry. Offering a fresh approach, it depicts the subject as a seamless discipline, showing how organic, inorganic, and physical concepts can be blended together to achieve the common goal of understanding chemical systems.

Chemical Reactivity Theory

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Publisher : CRC Press
ISBN 13 : 1420065440
Total Pages : 612 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Chemical Reactivity Theory by : Pratim Kumar Chattaraj

Download or read book Chemical Reactivity Theory written by Pratim Kumar Chattaraj and published by CRC Press. This book was released on 2009-02-23 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Guidelines for Chemical Reactivity Evaluation and Application to Process Design

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Publisher : John Wiley & Sons
ISBN 13 : 0470938048
Total Pages : 240 pages
Book Rating : 4.4/5 (79 download)

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Book Synopsis Guidelines for Chemical Reactivity Evaluation and Application to Process Design by : CCPS (Center for Chemical Process Safety)

Download or read book Guidelines for Chemical Reactivity Evaluation and Application to Process Design written by CCPS (Center for Chemical Process Safety) and published by John Wiley & Sons. This book was released on 2010-09-09 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: Drawn from international sources, this book provides principles and strategies for the evaluation of chemical reactions, and for using this information in process design and management. A useful resource for engineers who design, start-up, operate, and manage chemical and petrochemical plants, the book places special emphasis on the use of state-of-the-art technology in theory, testing methods, and applications in design and operations.

Theoretical Aspects of Chemical Reactivity

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Author :
Publisher : Elsevier
ISBN 13 : 0080466788
Total Pages : 331 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Theoretical Aspects of Chemical Reactivity by :

Download or read book Theoretical Aspects of Chemical Reactivity written by and published by Elsevier. This book was released on 2006-11-14 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity. * Written by specialists in the field of chemical reactivity* An authoritative overview of the research and progress * An essential reference material for students

Molecular Reaction Dynamics

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Publisher : Cambridge University Press
ISBN 13 : 9781139442879
Total Pages : 574 pages
Book Rating : 4.4/5 (428 download)

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Book Synopsis Molecular Reaction Dynamics by : Raphael D. Levine

Download or read book Molecular Reaction Dynamics written by Raphael D. Levine and published by Cambridge University Press. This book was released on 2009-06-04 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular reaction dynamics is the study of chemical and physical transformations of matter at the molecular level. The understanding of how chemical reactions occur and how to control them is fundamental to chemists and interdisciplinary areas such as materials and nanoscience, rational drug design, environmental and astrochemistry. This book provides a thorough foundation to this area. The first half is introductory, detailing experimental techniques for initiating and probing reaction dynamics and the essential insights that have been gained. The second part explores key areas including photoselective chemistry, stereochemistry, chemical reactions in real time and chemical reaction dynamics in solutions and interfaces. Typical of the new challenges are molecular machines, enzyme action and molecular control. With problem sets included, this book is suitable for advanced undergraduate and graduate students, as well as being supplementary to chemical kinetics, physical chemistry, biophysics and materials science courses, and as a primer for practising scientists.

Chemistry

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Publisher :
ISBN 13 : 9780176684082
Total Pages : 1312 pages
Book Rating : 4.6/5 (84 download)

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Book Synopsis Chemistry by : Peter G. Mahaffy

Download or read book Chemistry written by Peter G. Mahaffy and published by . This book was released on 2014-03-10 with total page 1312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Taking an evidence-first big picture approach, Chemistry: Human Activity, Chemical Reactivity encourages students to think like a chemist, develop critical understanding of what chemistry is, why it is important and how chemists arrive at their discoveries. Flipping the traditional model of presenting facts and building to applications, this text begins with contexts that are real-life and matter to students – from doping in sports, to the chemistry behind the treads of wall-climbing robots. Informed by the latest chemical education research, Chemistry: Human Activity, Chemical Reactivity presents chemistry as the exciting, developing human activity that it is, rather than a body of facts, theories, and skills handed down from the past. Along with the innovative MindTap Reader and OWLv2 learning platform, this text uses unique case studies and critically acclaimed interactive e-resources to help students learn chemistry and how it is helping to address global challenges of the 21st century.

Solvent Effects and Chemical Reactivity

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Publisher : Springer Science & Business Media
ISBN 13 : 9781402004179
Total Pages : 396 pages
Book Rating : 4.0/5 (41 download)

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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 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.

Graph Theoretical Approaches to Chemical Reactivity

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Publisher : Springer Science & Business Media
ISBN 13 : 9401112029
Total Pages : 291 pages
Book Rating : 4.4/5 (11 download)

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Book Synopsis Graph Theoretical Approaches to Chemical Reactivity by : Danail D. Bonchev

Download or read book Graph Theoretical Approaches to Chemical Reactivity written by Danail D. Bonchev and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 291 pages. Available in PDF, EPUB and Kindle. Book excerpt: The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to structure and interactions of chemical compounds. However, the qualitative models relating electronic structure to molecular geometry have not progressed at the same pace. There is a continuing need in chemistry for simple concepts and qualitatively clear pictures that are also quantitatively comparable to ab initio quantum chemical calculations. Topological methods and, more specifically, graph theory as a fixed-point topology, provide in principle a chance to fill this gap. With its more than 100 years of applications to chemistry, graph theory has proven to be of vital importance as the most natural language of chemistry. The explosive development of chemical graph theory during the last 20 years has increasingly overlapped with quantum chemistry. Besides contributing to the solution of various problems in theoretical chemistry, this development indicates that topology is an underlying principle that explains the success of quantum mechanics and goes beyond it, thus promising to bear more fruit in the future.

Chemical Kinetics

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Publisher : Elsevier
ISBN 13 : 0080469345
Total Pages : 563 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Chemical Kinetics by : Luis Arnaut

Download or read book Chemical Kinetics written by Luis Arnaut and published by Elsevier. This book was released on 2006-12-21 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Chemistry & Chemical Reactivity

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Publisher :
ISBN 13 : 9780495010135
Total Pages : 0 pages
Book Rating : 4.0/5 (11 download)

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Book Synopsis Chemistry & Chemical Reactivity by : John C. Kotz

Download or read book Chemistry & Chemical Reactivity written by John C. Kotz and published by . This book was released on 2006 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Chapter Goals" and "Chapter Goals Revisited" are two new features in this revision. Each chapter starts with a list of goals that allows students to see what is ahead. The chapter concludes with a repetition of that list with summary information added. General ChemistryNow is correlated to this list. New to this edition are dozens of "Active Figures" to help students visualize chemistry in action. These animated versions of text art help students master key concepts from the book. "Active Figures" can be used as demonstrations in the classroom and each figure is paired with a guided exploration and exercise to ensure students understand the concept being illustrated. In-text worked "Examples" follow a four-part structure: "Problem" statement, "Strategy" for approaching the problem, fully worked "Solution," and, where appropriate, a "Comment" on the problem and solution. Through this approach, students learn how to approach a problem rather than merely learning to memorize problem types and memorized solution approaches. Exercises appear throughout the text so students can check their comprehension of the material. Answers are in an appendix. "Problem-Solving Tips" provide readers tips for determining how to approach and solve problems. "Chemical Perspectives" are essays that bring relevance and perspective to a study of chemistry. In order to put chemistry in its historical context, "Historical Perspective" essays describe the people who were key to developing the concepts of the chapter. "A Closer Look" essays describe ideas that form the background to material under discussion or provide another dimension of the subject. - Publisher.

Chemistry and Chemical Reactivity

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Publisher :
ISBN 13 : 9781285462530
Total Pages : 1007 pages
Book Rating : 4.4/5 (625 download)

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Book Synopsis Chemistry and Chemical Reactivity by : John C. Kotz

Download or read book Chemistry and Chemical Reactivity written by John C. Kotz and published by . This book was released on 2014-02-14 with total page 1007 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reflecting Cengage Learning's commitment to offering flexible teaching solutions and value for students and instructors, this new hybrid version features the instructional presentation found in the printed text while delivering all the end-of chapter exercises online in OWLv2, the leading online learning system for chemistry. The result--a briefer printed text that engages learners online! Improve your grades and understanding of concepts with this value-packed Hybrid Edition. An access code to OWLv2 with MindTap Reader is included with the text, providing powerful online resources that include tutorials, simulations, randomized homework questions, videos, a complete interactive electronic version of the textbook, and more! Succeed in chemistry with the clear explanations, problem-solving strategies, and dynamic study tools of CHEMISTRY & CHEMICAL REACTIVITY, 9th edition. Combining thorough instruction with the powerful multimedia tools you need to develop a deeper understanding of general chemistry concepts, the text emphasizes the visual nature of chemistry, illustrating the close interrelationship of the macroscopic, symbolic, and particulate levels of chemistry. The art program illustrates each of these levels in engaging detail--and is fully integrated with key media components.

Essential Practices for Managing Chemical Reactivity Hazards

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Publisher : John Wiley & Sons
ISBN 13 : 0470925299
Total Pages : 211 pages
Book Rating : 4.4/5 (79 download)

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Book Synopsis Essential Practices for Managing Chemical Reactivity Hazards by : Robert W. Johnson

Download or read book Essential Practices for Managing Chemical Reactivity Hazards written by Robert W. Johnson and published by John Wiley & Sons. This book was released on 2010-08-13 with total page 211 pages. Available in PDF, EPUB and Kindle. Book excerpt: In its recent investigation of chemical reactivity accidents, the US Chemical Safety Board noted a gap in technical guidance and regulatory coverage. This volume closes the gap in technical guidance, helping small and large companies alike identify, address, and manage chemical reactivity hazards. It guides the reader through an analysis of the potential for chemical reactivity accidents to help prevent fires, explosions, toxic chemical releases or chemical spills. This volume is applicable to processes at any scale and is particularly useful for chemists, safety managers, and engineers involved in scale-up. An enclosed CD-ROM provides portable checklists, analysis tools, and a list of additional references. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

Comprehensive Inorganic Chemistry II

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Publisher : Newnes
ISBN 13 : 0080965296
Total Pages : 7694 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Comprehensive Inorganic Chemistry II by :

Download or read book Comprehensive Inorganic Chemistry II written by and published by Newnes. This book was released on 2013-07-23 with total page 7694 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive Inorganic Chemistry II, Nine Volume Set reviews and examines topics of relevance to today’s inorganic chemists. Covering more interdisciplinary and high impact areas, Comprehensive Inorganic Chemistry II includes biological inorganic chemistry, solid state chemistry, materials chemistry, and nanoscience. The work is designed to follow on, with a different viewpoint and format, from our 1973 work, Comprehensive Inorganic Chemistry, edited by Bailar, Emeléus, Nyholm, and Trotman-Dickenson, which has received over 2,000 citations. The new work will also complement other recent Elsevier works in this area, Comprehensive Coordination Chemistry and Comprehensive Organometallic Chemistry, to form a trio of works covering the whole of modern inorganic chemistry. Chapters are designed to provide a valuable, long-standing scientific resource for both advanced students new to an area and researchers who need further background or answers to a particular problem on the elements, their compounds, or applications. Chapters are written by teams of leading experts, under the guidance of the Volume Editors and the Editors-in-Chief. The articles are written at a level that allows undergraduate students to understand the material, while providing active researchers with a ready reference resource for information in the field. The chapters will not provide basic data on the elements, which is available from many sources (and the original work), but instead concentrate on applications of the elements and their compounds. Provides a comprehensive review which serves to put many advances in perspective and allows the reader to make connections to related fields, such as: biological inorganic chemistry, materials chemistry, solid state chemistry and nanoscience Inorganic chemistry is rapidly developing, which brings about the need for a reference resource such as this that summarise recent developments and simultaneously provide background information Forms the new definitive source for researchers interested in elements and their applications; completely replacing the highly cited first edition, which published in 1973

Effects of Electric Fields on Structure and Reactivity

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Publisher : Royal Society of Chemistry
ISBN 13 : 1839163046
Total Pages : 447 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis Effects of Electric Fields on Structure and Reactivity by : Sason Shaik

Download or read book Effects of Electric Fields on Structure and Reactivity written by Sason Shaik and published by Royal Society of Chemistry. This book was released on 2021-03-05 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics. Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. Starting with an overview of the theory behind – and demonstrations of the effect of – electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.

Modern Inorganic Synthetic Chemistry

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Publisher : Elsevier
ISBN 13 : 0444535993
Total Pages : 612 pages
Book Rating : 4.4/5 (445 download)

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Book Synopsis Modern Inorganic Synthetic Chemistry by : Ruren Xu

Download or read book Modern Inorganic Synthetic Chemistry written by Ruren Xu and published by Elsevier. This book was released on 2011-01-13 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt: The contributors to this book discuss inorganic synthesis reactions, dealing with inorganic synthesis and preparative chemistry under specific conditions. They go on to describe the synthesis, preparation and assembly of six important categories of compounds with wide coverage of distinct synthetic chemistry systems

Frontier Orbitals and Reaction Paths

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Publisher : World Scientific
ISBN 13 : 9812795847
Total Pages : 563 pages
Book Rating : 4.8/5 (127 download)

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Book Synopsis Frontier Orbitals and Reaction Paths by : Kenichi Fukui

Download or read book Frontier Orbitals and Reaction Paths written by Kenichi Fukui and published by World Scientific. This book was released on 1997 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.