Frontier Orbitals And Reaction Paths
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Frontier Orbitals And Reaction Paths
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Author : Kenichi Fukui
language : en
Publisher: World Scientific
Release Date : 1997
Frontier Orbitals And Reaction Paths written by Kenichi Fukui and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Science categories.
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.
Chemists
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Author : Dean Miller
language : en
Publisher: Cavendish Square Publishing, LLC
Release Date : 2014-01-01
Chemists written by Dean Miller and has been published by Cavendish Square Publishing, LLC this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-01 with Juvenile Nonfiction categories.
In this book, a breakdown of the life and work of some of history's pioneers in the study of chemistry are thoroughly explored. This biographical view provides excellent sketches for trailblazers in the area of chemistry. Articles are devoted to specific scientists, covering their contributions to their field, specifically addressing how their research, discoveries, and inventions impacted human understanding and experience. Most importantly, this book provides a chapter specifically devoted to the top scientific contributors of the 21st century, bringing readers current with both timely events and successes that have moved human kind forward.
Theoretical Chemistry Volume 3
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Author : Richard Newland Dixon
language : en
Publisher: Royal Society of Chemistry
Release Date : 1974
Theoretical Chemistry Volume 3 written by Richard Newland Dixon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 1974 with Chemistry, Physical and theoretical categories.
This product is not available separately, it is only sold as part of a set. There are 750 products in the set and these are all sold as one entity.
Theoretical Chemistry
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Author : R N Dixon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Theoretical Chemistry written by R N Dixon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.
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 90 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.
Theory Of Orientation And Stereoselection
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Author : K. Fukui
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Theory Of Orientation And Stereoselection written by K. Fukui and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
Many organic chemists will agree with me that the old "electronic theory" has for a long time been inadequate for the interpretation of various new findings in chemistry, particularly for those of reactivity. Considering the outstanding progress which has been made during the past 20 years in the interpretation of these facts, aided by the molecular orbital theory, the time has finally come for a new book showing what is within and what is beyond the reach of quantum-chemical methods. It was therefore highly suitable that Dr. F. L. Boschke of the Springer Verlag suggested to me to make a contribution to a volume in the series "Topics in Current Chemistry" in February 1969. The article was published as Vol. 15, No 1 in June 1970. This new book is an expanded version of the article written in 1970. In this present volume several of the most up-to-date findings which have been gained in organic chemistry since then have been added. It is highly probable that a certain "theoretical" design in the experimenta lists' mind may have been the reason for these developments, whether they themselves are aware of it or not. Theory produces new experimental ideas and conversely, a host of experimental data add another vista to new theories. Due to the mutual beneficial effect of theory and experiment this book will always retain its value, although the quantum-chemical approach to the theory of reactivity is, of course, still in the develop mental stage.
Advanced Organic Chemistry
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Author : Francis A. Carey
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-06-27
Advanced Organic Chemistry written by Francis A. Carey and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-06-27 with Science categories.
Since its original appearance in 1977, Advanced Organic Chemistry has maintained its place as the premier textbook in the field, offering broad coverage of the structure, reactivity and synthesis of organic compounds. As in the earlier editions, the text contains extensive references to both the primary and review literature and provides examples of data and reactions that illustrate and document the generalizations. While the text assumes completion of an introductory course in organic chemistry, it reviews the fundamental concepts for each topic that is discussed. The two-part fifth edition has been substantially revised and reorganized for greater clarity. Among the changes: Updated material reflecting advances in the field since 2001’s Fourth Edition, especially in computational chemistry; A companion Web site provides digital models for study of structure, reaction and selectivity; Solutions to the exercises provided to instructors online. The material in Part Ais organized on the basis of fundamental structural topics such as structure, stereochemistry, conformation and aromaticity and basic mechanistic types, including nucleophilic substitution, addition reactions, carbonyl chemistry, aromatic substitution and free radical reactions. Together with Part B: Reaction and Synthesis, the two volumes are intended to provide the advanced undergraduate or beginning graduate student in chemistry with a sufficient foundation to comprehend and use the research literature in organic chemistry.
Organic Reactions And Orbital Symmetry
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Author : T. L. Gilchrist
language : en
Publisher: CUP Archive
Release Date : 1979-09-13
Organic Reactions And Orbital Symmetry written by T. L. Gilchrist and has been published by CUP Archive this book supported file pdf, txt, epub, kindle and other format this book has been release on 1979-09-13 with Science categories.
First published in 1979 as the second edition of a 1972 original, this textbook provides a systematic account of cycloadditions and molecular rearrangements.
Chemical Reaction Networks
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Author : Oleg N. Temkin
language : en
Publisher: CRC Press
Release Date : 2020-07-24
Chemical Reaction Networks written by Oleg N. Temkin and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-07-24 with Science categories.
Over the last decade, increased attention to reaction dynamics, combined with the intensive application of computers in chemical studies, mathematical modeling of chemical processes, and mechanistic studies has brought graph theory to the forefront of research. It offers an advanced and powerful formalism for the description of chemical reactions and their intrinsic reaction mechanisms. Chemical Reaction Networks: A Graph-Theoretical Approach elegantly reviews and expands upon graph theory as applied to mechanistic theory, chemical kinetics, and catalysis. The authors explore various graph-theoretical approaches to canonical representation, numbering, and coding of elementary steps and chemical reaction mechanisms, the analysis of their topological structure, the complexity estimation, and classification of reaction mechanisms. They discuss topologically distinctive features of multiroute catalytic and noncatalytic and chain reactions involving metal complexes. With it's careful balance of clear language and mathematical rigor, the presentation of the authors' significant original work, and emphasis on practical applications and examples, Chemical Reaction Networks: A Graph Theoretical Approach is both an outstanding reference and valuable tool for chemical research.
Exploring Chemical Concepts Through Theory And Computation
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Author : Shubin Liu
language : en
Publisher: John Wiley & Sons
Release Date : 2024-10-21
Exploring Chemical Concepts Through Theory And Computation written by Shubin Liu and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-21 with Science categories.
Deep, theoretical resource on the essence of chemistry, explaining the sixteen most important concepts including redox states and bond types Exploring Chemical Concepts Through Theory and Computation provides a comprehensive account of how the three widely used theoretical frameworks of valence bond theory, molecular orbital theory, and density functional theory, along with a variety of important chemical concepts, can between them describe and efficiently and reliably predict key chemical parameters and phenomena. By comparing the three main theoretical frameworks, readers will become competent in choosing the right modeling approach for their task. The authors go beyond a simple comparison of existing algorithms to show how data-driven theories can explain why chemical compounds behave the way they do, thus promoting a deeper understanding of the essence of chemistry. The text is contributed to by top theoretical and computational chemists who have turned computational chemistry into today's data-driven and application-oriented science. Exploring Chemical Concepts Through Theory and Computation discusses topics including: Orbital-based approaches, density-based approaches, chemical bonding, partial charges, atoms in molecules, oxidation states, aromaticity and antiaromaticity, and acidity and basicity Electronegativity, hardness, softness, HSAB, sigma-hole interactions, charge transport and energy transfer, and homogeneous and heterogeneous catalysis Electrophilicity, nucleophilicity, cooperativity, frustration, homochirality, and energy decomposition Chemical concepts in solids, excited states, spectroscopy and machine learning, and catalysis and machine learning, and as well as key connections between related concepts Aimed at both novice and experienced computational, theoretical, and physical chemists, Exploring Chemical Concepts Through Theory and Computation is an essential reference to gain a deeper, more advanced holistic understanding of the field of chemistry as a whole.
Chemistry 1981 1990
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Author : Bo G. Malmstrm
language : en
Publisher: World Scientific
Release Date : 1992
Chemistry 1981 1990 written by Bo G. Malmstrm and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Science categories.
A collection of the Nobel Lectures delivered by the prizewinners in chemistry, together with their biographies, portraits and the presentation speeches.