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Author : Charles Alfred Coulson,Dr. Brian O'Leary,Brian O'Leary,R. B. Mallion
Publisher : Unknown
Page : 210 pages
File Size : 41,6 Mb
Release : 1978
Category : Chemistry, Organic
ISBN : UCSD:31822011031267
Author : Keith Yates
Publisher : Elsevier
Page : 384 pages
File Size : 51,9 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323152990
Huckel Molecular Orbital Theory aims to be a simple, descriptive, and non-mathematical introduction to the Huckel molecular orbital theory and its applications in organic chemistry, thus the more basic text found in the book. The book, after an introduction to related concepts such as quantum mechanics and chemical bonding, discusses the Huckel molecular orbital theory and its basic assumptions; the variation principle and the basic Huckel method; and the use of symmetry properties in simplifying Huckel method orbital calculations. The book also covers other related topics such as the extensions and improvements of the simple Huckel method; the quantitative significance Huckel molecular orbital results; and the principle of conservation of orbital symmetry. The text is recommended for undergraduate students of organic chemistry who wish to be acquainted with the basics of the Huckel molecular orbital theory.
Author : I.G. Csizmadia
Publisher : Elsevier
Page : 388 pages
File Size : 44,9 Mb
Release : 2016-06-23
Category : Science
ISBN : 9781483100869
Progress in Theoretical Organic Chemistry, Volume I: Theory and Practice of MO Calculations on Organic Molecules covers the theories, models, and applications of MO calculations. The book is comprised of 15 chapters that are organized into five sections. The first section provides an introductory discourse. The second section covers the theory of closed electronic shells, while the third section tackles the theory of open electronic shells. The practical aspects of MO computations and the formalisms of Roothaan’s SCF theories are also presented in the book. The text will be of great interest to organic chemists whose work involves the utilization of MO calculations on organic molecules.
Author : Weston T. Borden
Publisher : Prentice Hall
Page : 332 pages
File Size : 51,9 Mb
Release : 1975
Category : Science
ISBN : UOM:39015015996617
Author : Howard Zimmerman
Publisher : Elsevier
Page : 226 pages
File Size : 41,8 Mb
Release : 2012-12-02
Category : Science
ISBN : 9780323159746
Quantum Mechanics for Organic Chemists is based on the author's first-year graduate course on quantum mechanics for Organic Chemistry majors. The book not only makes a gradual transition from elementary to advanced, but also tries an approach that allows students to have a more intuitive learning. The book covers concepts in quantum physics and topics such as the LCAO-MO Huckel Approach; group theory; and extensions, modifications, and applications of the Huckel approach. Also included in the book are the areas of three-dimensional treatments; polyelectron wave functions; the Slater determinant; and Pople's SCF equations. The text is recommended for graduate students of organic chemistry who would like to know more about the applications of quantum mechanics in their field. Quantum physicists who are interested in the field of organic chemistry would also find the book appealing.
Author : Michael James Steuart Dewar
Publisher : Unknown
Page : 520 pages
File Size : 50,5 Mb
Release : 1969
Category : Chemistry, Organic
ISBN : UCSD:31822014543839
Author : William Burton Smith
Publisher : Wiley-VCH
Page : 192 pages
File Size : 55,6 Mb
Release : 1996
Category : Chemistry, Physical organic
ISBN : 1560819375
An introduction for students and practicing organic chemists, using the Huckel molecular orbital theory as a pedagogical means to explain modern theoretical methods and introduce more advanced techniques in PMO and FMO theory, molecular mechanics, semiempirical methods, and ab initio and density functional methods. Outlines the scope and limitations of several computational programs and offers specific examples of input and output. Contains chapter problems. Annotation copyright by Book News, Inc., Portland, OR
Author : Arvi Rauk
Publisher : John Wiley & Sons
Page : 360 pages
File Size : 47,8 Mb
Release : 2004-04-07
Category : Science
ISBN : 9780471461845
A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.
Author : Andrew STREITWIESER
Publisher : Unknown
Page : 128 pages
File Size : 50,9 Mb
Release : 1961
Category : Electronic
ISBN : OCLC:503786258
Author : H. H. Greenwood
Publisher : John Wiley & Sons
Page : 236 pages
File Size : 42,7 Mb
Release : 1972
Category : Science
ISBN : UCAL:B4476931
Author : Pierre Vogel,Kendall N. Houk
Publisher : John Wiley & Sons
Page : 2876 pages
File Size : 52,8 Mb
Release : 2019-08-08
Category : Science
ISBN : 9783527819270
Provides the background, tools, and models required to understand organic synthesis and plan chemical reactions more efficiently Knowledge of physical chemistry is essential for achieving successful chemical reactions in organic chemistry. Chemists must be competent in a range of areas to understand organic synthesis. Organic Chemistry provides the methods, models, and tools necessary to fully comprehend organic reactions. Written by two internationally recognized experts in the field, this much-needed textbook fills a gap in current literature on physical organic chemistry. Rigorous yet straightforward chapters first examine chemical equilibria, thermodynamics, reaction rates and mechanisms, and molecular orbital theory, providing readers with a strong foundation in physical organic chemistry. Subsequent chapters demonstrate various reactions involving organic, organometallic, and biochemical reactants and catalysts. Throughout the text, numerous questions and exercises, over 800 in total, help readers strengthen their comprehension of the subject and highlight key points of learning. The companion Organic Chemistry Workbook contains complete references and answers to every question in this text. A much-needed resource for students and working chemists alike, this text: -Presents models that establish if a reaction is possible, estimate how long it will take, and determine its properties -Describes reactions with broad practical value in synthesis and biology, such as C-C-coupling reactions, pericyclic reactions, and catalytic reactions -Enables readers to plan chemical reactions more efficiently -Features clear illustrations, figures, and tables -With a Foreword by Nobel Prize Laureate Robert H. Grubbs Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis is an ideal textbook for students and instructors of chemistry, and a valuable work of reference for organic chemists, physical chemists, and chemical engineers.
Author : Michael Dewar
Publisher : Springer Science & Business Media
Page : 584 pages
File Size : 49,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461344049
This textbook introduces the perturbation molecular orbital (PMO) th,eory of organic chemistry. Organic chemistry encompasses the largest body of factual information of any of the major divisions of science. The sheer bulk of the subject matter makes many demands on any theory that attempts to systematize it. Time has shown that the PMO method meets these demands admirably. The PMO method can provide practicing chemists with both a pictorial description of bonding and qualitative theoretical results that are well founded in more sophisticated treatments. The only requirements for use of the theory are high school algebra and a pencil and paper. The treatment described in this book is by no means new. Indeed, it was developed as a complete theory of organic chemistry more than twenty years ago. Although it was demonstrably superior to resonance theory and no more complicated to use, it escaped notice for two very simple reasons. First, the original papers describing it were very condensed, perhaps even obscure, and contained few if any examples. Second, for various reasons, no general account appeared in book form until 1969,* and this was still relatively inaccessible, being in the form of a monograph where molecular orbital (MO) theory was treated mainly at a much more sophisticated level. The generality of the PMO method is illustrated by the fact that all the new developments over the last two decades can be accommodated in it.
Author : Andrew Streitwieser
Publisher : Unknown
Page : 489 pages
File Size : 45,9 Mb
Release : 1967
Category : Chemistry, Organic
ISBN : 0471833657
Author : Pierre Vogel,Kendall N. Houk
Publisher : John Wiley & Sons
Page : 1382 pages
File Size : 47,9 Mb
Release : 2019-07-30
Category : Science
ISBN : 9783527819256
The know-how about reactivity, reaction mechanisms, thermodynamics and other basics in physical organic chemistry is the key for successful organic reactions. This textbook presents comprehensively this knowledge to the student and to the researcher, too. Includes Q&As.
Author : Michael B. Smith
Publisher : John Wiley & Sons
Page : 2146 pages
File Size : 48,6 Mb
Release : 2020-02-19
Category : Science
ISBN : 9781119371809
The completely revised and updated, definitive resource for students and professionals in organic chemistry The revised and updated 8th edition of March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure explains the theories of organic chemistry with examples and reactions. This book is the most comprehensive resource about organic chemistry available. Readers are guided on the planning and execution of multi-step synthetic reactions, with detailed descriptions of all the reactions The opening chapters of March's Advanced Organic Chemistry, 8th Edition deal with the structure of organic compounds and discuss important organic chemistry bonds, fundamental principles of conformation, and stereochemistry of organic molecules, and reactive intermediates in organic chemistry. Further coverage concerns general principles of mechanism in organic chemistry, including acids and bases, photochemistry, sonochemistry and microwave irradiation. The relationship between structure and reactivity is also covered. The final chapters cover the nature and scope of organic reactions and their mechanisms. This edition: Provides revised examples and citations that reflect advances in areas of organic chemistry published between 2011 and 2017 Includes appendices on the literature of organic chemistry and the classification of reactions according to the compounds prepared Instructs the reader on preparing and conducting multi-step synthetic reactions, and provides complete descriptions of each reaction The 8th edition of March's Advanced Organic Chemistry proves once again that it is a must-have desktop reference and textbook for every student and professional working in organic chemistry or related fields. Winner of the Textbook & Acadmic Authors Association 2021 McGuffey Longevity Award.