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Author : Ralph G. Pearson
Publisher : John Wiley & Sons Incorporated
Page : 548 pages
File Size : 50,9 Mb
Release : 1976
Category : Science
ISBN : MINN:319510005572881
Author : Roger L. DeKock,Harry B. Gray
Publisher : University Science Books
Page : 516 pages
File Size : 47,5 Mb
Release : 1989
Category : Chemical bonds
ISBN : 093570261X
"Designed for use in inorganic, physical, and quantum chemistry courses, this textbook includes numerous questions and problems at the end of each chapter and an Appendix with answers to most of the problems."--
Author : Paul Heimbach,Tamas Bartik
Publisher : Springer Science & Business Media
Page : 227 pages
File Size : 53,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642838064
Considering aspects of symmetry rules in chemistry, one is faced with con tradictory terms as for example, "90 % concertedness" sometimes being used in literature. To accept conservation of orbital symmetry to be as controlled as inversion by alternative principles seems far more promising. The intention of this book is aimed at introducing a qualitative understanding of phase rela tions in electromagnetic interactions. Avoiding one-sided dogmatism we tried to demonstrate the importance of alternative principles as guidelines to the evolution of alternative order in chemical systems. Passing through the jungle of information it became extremly important to control again and again our insights into the ordering phenomena by experi ments under conditions as coherent as possible. We became more aware of the fact that chemistry - the science of "becoming" in complex systems - can not be understood by mechanistic details, i. e. THROUGHPUT-studies alone, because the mechanism is only true for the special system under inves tigation and does not offer a tool for the evolution of opposite order. We had to accept chemistry as a mediator between molecular physics and general epistemology. This quite unusual combination was directed by excel lent teachers and the realizations were made possible by enthusiastic, open minded coworkers (see references). The next target we will strive for on this journey will be to quantify the alternative principles, that means obtaining the order parameters of H. Haken (e. g. in asymmetric synthesis).
Author : John W. Moore,Ralph G. Pearson
Publisher : John Wiley & Sons
Page : 486 pages
File Size : 43,6 Mb
Release : 1981-09-30
Category : Science
ISBN : 0471035580
The third edition of a classic text originally by Frost and Pearson, that describes the fundamental principles and established practices that apply to the study and the rates and mechanisms of homogeneous chemical reactions in the gas phase and in solution. Incorporates new advances made during the past 20 years in the study of individual molecular collisions by molecular-beam, laser applications to experimental kinetics, theoretical treatments of reaction rates and our understanding of the principles that govern rates of reaction in solution. Presents numerous examples of the deduction of mechanism from experiment, including intimate details such as stereochemistry and the dependence of reaction pathway on the exact energy states of reacting particles.
Author : Istvan Hargittai,Magdolna Hargittai
Publisher : Springer Science & Business Media
Page : 475 pages
File Size : 44,7 Mb
Release : 2007-08-29
Category : Science
ISBN : 9780585312347
We have been gratified by the warm reception of our book, by reviewers, colleagues, and students alike. Our interest in the subject matter of this book has not decreased since its first appearance; on the contrary. The first and second editions envelop eight other symmetry-related books in the creation of which we have participated: I. Hargittai (ed.), Symmetry: Unifying Human Understanding, Pergamon Press, New York, 1986. I. Hargittai and B. K. Vainshtein (eds.), Crystal Symmetries. Shubnikov Centennial Papers, Pergamon Press, Oxford, 1988. M. Hargittai and I. Hargittai, Fedezziikf6l a szimmetri6t! (Discover Sym- try, in Hungarian), Tank6nyvkiad6, Budapest, 1989. I. Hargittai (ed.), Symmetry 2: Unifying Human Understanding, Pergamon Press, Oxford, 1989. I. Hargittai (ed.), Quasicrystals, Networks, and Molecules of Fivefold Sym- try, VCH, New York, 1990. I. Hargittai (ed.), Fivefold Symmetry, World Scientific, Singapore, 1992. I. Hargittai and C. A. Pickover (eds.), Spiral Symmetry, World Scientific, Singapore, 1992. I. Hargittai and M. Hargittai, Symmetry: A Unifying Concept, Shelter Publi- tions, Bolinas, California, 1994. We have also pursued our molecular structure research, and some books have appeared related to these activities: vi Preface to the Second Edition I. Hargittai and M. Hargittai (eds.), Stereochemical Applications of Gas-Phase Electron Diffraction, Parts A and B, VCH, New York, 1988. R. Gillespie and I. Hargittai, VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. A. Domenicano and I. Hargittai (eds.), Accurate Molecular Structures, Oxford University Press, Oxford, 1992.
Author : R. C. Maurya,J.M. Mir
Publisher : Walter de Gruyter GmbH & Co KG
Page : 478 pages
File Size : 50,6 Mb
Release : 2019-09-02
Category : Science
ISBN : 9783110635034
The mathematical fundamentals of molecular symmetry and group theory are comprehensibly described in this book. Applications are given in context of electronic and vibrational spectroscopy as well as chemical reactions following orbital symmetry rules. Exercises and examples compile and deepen the content in a lucid manner.
Author : Edgar Heilbronner,Jack D. Dunitz
Publisher : John Wiley & Sons
Page : 172 pages
File Size : 50,5 Mb
Release : 1993
Category : Chemistry
ISBN : 1560812540
Author : Paul Heimbach,Tamas Bartik
Publisher : Springer
Page : 214 pages
File Size : 44,9 Mb
Release : 2011-12-16
Category : Science
ISBN : 3642838073
Considering aspects of symmetry rules in chemistry, one is faced with con tradictory terms as for example, "90 % concertedness" sometimes being used in literature. To accept conservation of orbital symmetry to be as controlled as inversion by alternative principles seems far more promising. The intention of this book is aimed at introducing a qualitative understanding of phase rela tions in electromagnetic interactions. Avoiding one-sided dogmatism we tried to demonstrate the importance of alternative principles as guidelines to the evolution of alternative order in chemical systems. Passing through the jungle of information it became extremly important to control again and again our insights into the ordering phenomena by experi ments under conditions as coherent as possible. We became more aware of the fact that chemistry - the science of "becoming" in complex systems - can not be understood by mechanistic details, i. e. THROUGHPUT-studies alone, because the mechanism is only true for the special system under inves tigation and does not offer a tool for the evolution of opposite order. We had to accept chemistry as a mediator between molecular physics and general epistemology. This quite unusual combination was directed by excel lent teachers and the realizations were made possible by enthusiastic, open minded coworkers (see references). The next target we will strive for on this journey will be to quantify the alternative principles, that means obtaining the order parameters of H. Haken (e. g. in asymmetric synthesis).
Author : Magdolna Hargittai,Istvan Hargittai
Publisher : Springer Science & Business Media
Page : 528 pages
File Size : 42,7 Mb
Release : 2009-02-28
Category : Science
ISBN : 9781402056284
It is gratifying to launch the third edition of our book. Its coming to life testi?es about the task it has ful?lled in the service of the com- nity of chemical research and learning. As we noted in the Prefaces to the ?rst and second editions, our book surveys chemistry from the point of view of symmetry. We present many examples from ch- istry as well as from other ?elds to emphasize the unifying nature of the symmetry concept. Our aim has been to provide aesthetic pl- sure in addition to learning experience. In our ?rst Preface we paid tribute to two books in particular from which we learned a great deal; they have in?uenced signi?cantly our approach to the subject matter of our book. They are Weyl’s classic, Symmetry, and Shubnikov and Koptsik’s Symmetry in Science and Art. The structure of our book has not changed. Following the Int- duction (Chapter 1), Chapter 2 presents the simplest symmetries using chemical and non-chemical examples. Molecular geometry is discussed in Chapter 3. The next four chapters present gro- theoretical methods (Chapter 4) and, based on them, discussions of molecular vibrations (Chapter 5), electronic structures (Chapter 6), and chemical reactions (Chapter 7). For the last two chapters we return to a qualitative treatment and introduce space-group sym- tries (Chapter 8), concluding with crystal structures (Chapter 9). For the third edition we have further revised and streamlined our text and renewed the illustrative material.
Author : T. L. Gilchrist,R. C. Storr
Publisher : Cambridge University Press
Page : 324 pages
File Size : 48,9 Mb
Release : 1979-09-13
Category : Science
ISBN : 0521220149
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.
Author : Bodie E. Douglas,Charles A. Hollingsworth
Publisher : Academic Press
Page : 469 pages
File Size : 45,6 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323139311
Many courses dealing with the material in this text are called "Applications of Group Theory." Emphasizing the central role and primary importance of symmetry in the applications, Symmetry in Bonding and Spectra enables students to handle applications, particularly applications to chemical bonding and spectroscopy. It contains the essential background in vectors and matrices for the applications, along with concise reviews of simple molecular orbital theory, ligand field theory, and treatments of molecular shapes, as well as some quantum mechanics. Solved examples in the text illustrate theory and applications or introduce special points. Extensive problem sets cover the important methods and applications, with the answers in the appendix.
Author : E.Amitai Halevi
Publisher : Springer Science & Business Media
Page : 312 pages
File Size : 52,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9783642835681
Criteria of orbital symmetry conservation had a profound influence on mechanistic thinking in organic chemistry and are still commonly applied today. The author presents a coherent set of operational rules for the analysis of scope and reliability. It is written from the viewpoint of Orbital Correspondence Analysis in Maximum Symmetry (OCAMS). Its advantage lies in its provision of a coherent overview of the relation between symmetry and mechanism. For reasons of consistency, the book remains within the framework of molecular orbital theory.
Author : Oleg N. Temkin,Andrew V. Zeigarnik,D.G. Bonchev
Publisher : CRC Press
Page : 297 pages
File Size : 42,5 Mb
Release : 2020-07-24
Category : Science
ISBN : 9781000102666
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.
Author : Pieter E Schipper
Publisher : World Scientific
Page : 284 pages
File Size : 41,7 Mb
Release : 1994-04-22
Category : Science
ISBN : 9789814502696
This well-illustrated book develops, using only the ideas of basic quantum chemistry (e.g. perturbation and symmetry theory), a fundamental conceptual and theoretical framework for chemical reactivity. By feeding the role of symmetry and chemical group topology directly into the development, the analysis generates and explains the successful features of simpler reactivity theories (e.g. frontier orbital theory, the isolobal concept, PMO theory, the Woodward-Hoffmann rules), as well as defines their limitations. The unifying construct is that of a group-resolved correlation diagram, which is shown to represent the formal quantization of the electron arrow, replacing the concept of classical point electrons moving between groups with the concept of quantum electron matter waves which evolve with the evolving nuclear and chemical group structure. The use of the concept of chemical groups (functional group system, substituents, solvents) is central to the development, localising the evolutionary electrons within the functional groups and leading to an isolation and analytic definition of substituent and solvent (catalytic) effects as explicit functions of the reaction coordinate. Each archetypical reaction family is represented by fully-worked examples: viz. aliphatic nucleophilic substitution, aromatic electrophilic substitution, inorganic rearrangements, electrocyclic additions, Diels-Alder additions and addition stages in chiral reactions. Contents:Chemical ReactivityReaction PathsSpatial SymmetryStructure SymmetryCSR ProcedureCSR ApplicationsFormal Electronic ControlPractical QSR ProcedureThe CPMO PotentialInorganic RearrangementsSubstitutions Readership: Chemists and theoretical chemists. keywords: “Those chemists interested in the theoretical foundations of chemical reactivity and reaction mechanisms will find that this book succeeds in unifying a number of concepts which are used to evaluate reaction coordinates … This book is an ambitious undertaking … There are some interesting, provocative comments concerning the orbital noncrossing rule and reactivity. Overall, this will be a useful book for specialists in the field.” Jon Hardesty & Thomas A Albright J. Am. Chem. Soc.
Author : István Hargittai
Publisher : Elsevier
Page : 1068 pages
File Size : 53,9 Mb
Release : 2014-05-23
Category : Science
ISBN : 9781483149523
International Series in Modern Applied Mathematics and Computer Science, Volume 10: Symmetry: Unifying Human Understanding provides a tremendous scope of “symmetry , covering subjects from fractals through court dances to crystallography and literature. This book discusses the limits of perfection, symmetry as an aesthetic factor, extension of the Neumann-Minnigerode-Curie principle, and symmetry of point imperfections in solids. The symmetry rules for chemical reactions, matching and symmetry of graphs, mosaic patterns of H. J. Woods, and bilateral symmetry in insects are also elaborated. This text likewise covers the crystallographic patterns, Milton's mathematical symbol of theodicy, symmetries of soap films, and gapon formalism. This volume is a good source for researchers and specialists concerned with symmetry.
