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Theory of Orientation and Stereoselection

Theory of Orientation and Stereoselection
Author: K. Fukui
Publisher: Springer Science & Business Media
Total Pages: 141
Release: 2013-04-17
Genre: Science
ISBN: 3642619177

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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.


Theory of

Theory of
Author:
Publisher:
Total Pages: 85
Release: 1970
Genre:
ISBN:

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Organic Reactions and Orbital Symmetry

Organic Reactions and Orbital Symmetry
Author: T. L. Gilchrist
Publisher: Cambridge University Press
Total Pages: 324
Release: 1979-09-13
Genre: Science
ISBN: 9780521220149

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First published in 1979 as the second edition of a 1972 original, this textbook provides a systematic account of an important area of organic chemistry - that of cycloadditions and molecular rearrangements. The necessary theoretical background for understanding these reactions is presented in non-mathematical form and various alternative approaches to the theory are compared. The core of the book is a descriptive account of various types of cycloaddition and rearrangement reactions. The synthetic importance of these reactions is emphasised and, by providing the mechanistic background, the book demonstrates to the reader the relationship between the different types of reactions. This book will be of value to anyone with an interest in organic chemistry.


Perspectives in Electronic Structure Theory

Perspectives in Electronic Structure Theory
Author: Roman F. Nalewajski
Publisher: Springer Science & Business Media
Total Pages: 727
Release: 2012-03-23
Genre: Science
ISBN: 3642201806

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The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.


Orientation and Stereoselection

Orientation and Stereoselection
Author: Springer
Publisher:
Total Pages: 96
Release: 2014-01-15
Genre:
ISBN: 9783662163764

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Theoretical Aspects of Chemical Reactivity

Theoretical Aspects of Chemical Reactivity
Author:
Publisher: Elsevier
Total Pages: 330
Release: 2006-11-14
Genre: Technology & Engineering
ISBN: 9780080466781

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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


Theory of Organic Reactions

Theory of Organic Reactions
Author: N. D. Epiotis
Publisher: Springer Science & Business Media
Total Pages: 304
Release: 2012-12-06
Genre: Science
ISBN: 3642668275

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Overlap Determinant Method in the Theory of Pericyclic Reactions

Overlap Determinant Method in the Theory of Pericyclic Reactions
Author: Robert Ponec
Publisher: Springer Science & Business Media
Total Pages: 135
Release: 2012-12-06
Genre: Science
ISBN: 3642468179

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The author summarizes the development and the applications of overlap determinant method in various fields of pericyclic reactivity. The greatest advantage of this new method lies in its remarkable simplicity and flexibility owing to which it opens an interesting possibility of the systematic investigation of important mechanistic problems of pericyclic reactivity which were so far beyond the scope of other existing techniques.