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Author: James Keeler Publisher: Oxford University Press ISBN: 0199604134 Category : Science Languages : en Pages : 896
Book Description
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.
Author: James Keeler Publisher: Oxford University Press ISBN: 0199604134 Category : Science Languages : en Pages : 896
Book Description
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.
Author: Savas Kaya Publisher: Elsevier ISBN: 032390257X Category : Science Languages : en Pages : 606
Book Description
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
Author: CCPS (Center for Chemical Process Safety) Publisher: John Wiley & Sons ISBN: 0470938048 Category : Technology & Engineering Languages : en Pages : 240
Book Description
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.
Author: Hadley Wickham Publisher: "O'Reilly Media, Inc." ISBN: 149204735X Category : Computers Languages : en Pages : 372
Book Description
Master the Shiny web framework—and take your R skills to a whole new level. By letting you move beyond static reports, Shiny helps you create fully interactive web apps for data analyses. Users will be able to jump between datasets, explore different subsets or facets of the data, run models with parameter values of their choosing, customize visualizations, and much more. Hadley Wickham from RStudio shows data scientists, data analysts, statisticians, and scientific researchers with no knowledge of HTML, CSS, or JavaScript how to create rich web apps from R. This in-depth guide provides a learning path that you can follow with confidence, as you go from a Shiny beginner to an expert developer who can write large, complex apps that are maintainable and performant. Get started: Discover how the major pieces of a Shiny app fit together Put Shiny in action: Explore Shiny functionality with a focus on code samples, example apps, and useful techniques Master reactivity: Go deep into the theory and practice of reactive programming and examine reactive graph components Apply best practices: Examine useful techniques for making your Shiny apps work well in production
Author: L. Bretherick Publisher: Elsevier ISBN: 1483162508 Category : Technology & Engineering Languages : en Pages : 2058
Book Description
Bretherick's Handbook of Reactive Chemical Hazards, Fourth Edition, has been prepared and revised to give access to a wide and up-to-date selection of documented information to research students, practicing chemists, safety officers, and others concerned with the safe handling and use of reactive chemicals. This will allow ready assessment of the likely potential for reaction hazards which may be associated with an existing or proposed chemical compound or reaction system. A secondary, longer-term purpose is to present the information in a way which will, as far as possible, bring out the causes of, and interrelationships between, apparently disconnected facts and incidents. This handbook includes all information which had become available to the author by April 1989 on the reactivity hazards of individual elements or compounds, either alone or in combination. It begins with an introductory chapter that provides an overview of the complex subject of reactive chemical hazards, drawing attention to the underlying principles and to some practical aspects of minimizing such hazards. This is followed by two sections: Section 1 provides detailed information on the hazardous properties of individual chemicals, either alone or in combination with other compounds; the entries in Section 2 are of two distinct types. The first type of entry gives general information on the hazardous behavior of some recognizably discrete classes or groups of the 4,600 or so individual compounds for which details are given in Section 1. The second type of entry concerns reactive hazard topics, techniques, or incidents which have a common theme or pattern of behavior involving compounds of several different groups, so that no common structural feature exists for the compounds involved.
Author: Pratim Kumar Chattaraj Publisher: CRC Press ISBN: 1420065440 Category : Science Languages : en Pages : 612
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: Sason Shaik Publisher: Royal Society of Chemistry ISBN: 1839163046 Category : Science Languages : en Pages : 447
Book Description
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.
Author: Danail D. Bonchev Publisher: Springer Science & Business Media ISBN: 9401112029 Category : Science Languages : en Pages : 291
Book Description
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.
Author: Peter G. Mahaffy Publisher: ISBN: 9780176684082 Category : Chemistry Languages : en Pages : 1312
Book Description
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.
Author: Hendrik Zipse Publisher: Royal Society of Chemistry ISBN: 1839167548 Category : Science Languages : en Pages : 205
Book Description
Completely revised and updated, this 2nd Edition of Reactivity and Mechanism in Organic Chemistry is an ideal introduction to the quantitative description of organic reactivity for students in undergraduate and masters chemistry programmes. The book proceeds logically from qualitative molecular orbital theory as a tool for the description of bonding phenomena to combining this with thermochemical data to rationalise concepts such as molecular strain and hyperconjugation. Next, transition state theory, for examining organic reactivity phenomena, is introduced and its relation to energy surfaces and simple rate equations is discussed. On this basis more specific reactivity concepts commonly used in organic chemistry are explored such as the Bell–Evans–Polanyi principle, Marcus theory, HSAB principle, Hammett correlations, the Mayr–Patz equation, and FMO theory. How these reactivity models are applied is demonstrated for pericyclic reactions and selected rearrangement reactions involving transient intermediates such as radicals, diradicals, or carbocations, and for reactions involving classical electrophile/nucleophile combinations.
Author: James Keeler
Author: James Keeler
Author: Savas Kaya
Author: CCPS (Center for Chemical Process Safety)
Author: Hadley Wickham
Author: L. Bretherick
Author: Pratim Kumar Chattaraj
Author: Sason Shaik
Author: Danail D. Bonchev
Author: Peter G. Mahaffy
Author: Hendrik Zipse