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Author: Keith Yates
Publisher: Elsevier
ISBN: 0323152996
Category : Science
Languages : en
Pages : 384
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Book Description
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: Keith Yates
Publisher: Elsevier
ISBN: 0323152996
Category : Science
Languages : en
Pages : 384
Get Book Here
Book Description
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: R. B. Woodward
Publisher: Elsevier
ISBN: 148328204X
Category : Science
Languages : en
Pages : 185
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Book Description
The Conservation of Orbital Symmetry examines the principle of conservation of orbital symmetry and its use. The central content of the principle was that reactions occur readily when there is congruence between orbital symmetry characteristics of reactants and products, and only with difficulty when that congruence does not obtain—or to put it more succinctly, orbital symmetry is conserved in concerted reaction. This principle is expected to endure, whatever the language in which it may be couched, or whatever greater precision may be developed in its application and extension. The book opens with a review of the elementary aspects of the molecular orbital theory of bonding. This is followed by separate chapters on correlation diagrams, the conservation of orbital symmetry, theory of electrocyclic reactions, theory of cycloadditions and cycloreversions, and theory of sigmatropic reactions. Subsequent chapters deal with group transfers and eliminations; secondary conformational effects in concerted cycloaddition reactions; and generalized selection rules for pericyclic reactions.
Author: E.Amitai Halevi
Publisher: Springer Science & Business Media
ISBN: 3642835686
Category : Science
Languages : en
Pages : 322
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Book Description
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: Jack Simons
Publisher: Cambridge University Press
ISBN: 9780521530477
Category : Science
Languages : en
Pages : 484
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Book Description
Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.
Author: Daniel C. Harris
Publisher: Courier Corporation
ISBN: 9780486661445
Category : Science
Languages : en
Pages : 588
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Book Description
Informal, effective undergraduate-level text introduces vibrational and electronic spectroscopy, presenting applications of group theory to the interpretation of UV, visible, and infrared spectra without assuming a high level of background knowledge. 200 problems with solutions. Numerous illustrations. "A uniform and consistent treatment of the subject matter." — Journal of Chemical Education.
Author: Roland E. Lehr
Publisher: Elsevier
ISBN: 148326775X
Category : Science
Languages : en
Pages : 201
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Book Description
Orbital Symmetry: A Problem-Solving Approach was born of the necessity to present to students Woodward and Hoffmann's approach to pericyclic reactions. Hence the tone is introductory, and the book is addressed primarily to an audience of advanced undergraduate and beginning graduate students. The text seeks to familiarize the readers with several of the more often encountered methods of analyzing pericyclic reactions, and these methods should enable the analysis of virtually all of them. Problem solving is the foundation of the approach. Both the introductory and theory sections include problems to prepare the reader for the more extensive chapters of problems that follow. All problems (except those in Chapter VII) are answered in the text and are fully referenced where appropriate. Many of the problems require the use of molecular models if they are to be appreciated. Prentice-Hall's ""Framework Molecular Models"" and Benjamin's ""Maruzen Models"" are best suited for the construction of the highly strained molecules often encountered in the problems, and their use is recommended.
Author: Veejendra K. Yadav
Publisher: Springer Nature
ISBN: 303075622X
Category : Science
Languages : en
Pages : 262
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Book Description
In this second edition, the author has thoroughly updated each chapter and expanded the content with addition of three new chapters. This book comments on several key aspects of stereochemical control of organic reactions in measured detail to allow the reader easily grasp these concepts. In addition, emphasis is given to key information and important aspects of steric and stereoelectronic effects and their control on conformational profile and reactivity features. This book is not only an indispensable resource for advanced undergraduate and graduate students studying the stereochemical aspects of organic reactions, but also a good reference book for all organic chemists in both industry and academia.
Author: Ann M. Fabirkiewicz
Publisher: John Wiley & Sons
ISBN: 111866227X
Category : Science
Languages : en
Pages : 374
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Book Description
This book presents key aspects of organic synthesis – stereochemistry, functional group transformations, bond formation, synthesis planning, mechanisms, and spectroscopy – and a guide to literature searching in a reader-friendly manner. • Helps students understand the skills and basics they need to move from introductory to graduate organic chemistry classes • Balances synthetic and physical organic chemistry in a way accessible to students • Features extensive end-of-chapter problems • Updates include new examples and discussion of online resources now common for literature searches • Adds sections on protecting groups and green chemistry along with a rewritten chapter surveying organic spectroscopy
Author: S.M. Blinder
Publisher: Academic Press
ISBN: 0128223111
Category : Science
Languages : en
Pages : 436
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Book Description
Introduction to Quantum Mechanics, 2nd Edition provides an accessible, fully updated introduction to the principles of quantum mechanics. It outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of current scientific developments.Beginning with a solid introduction to the key principles underpinning quantum mechanics in Part 1, the book goes on to expand upon these in Part 2, where fundamental concepts such as molecular structure and chemical bonding are discussed. Finally, Part 3 discusses applications of this quantum theory across some newly developing applications, including chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing.Drawing on the extensive experience of its expert author, Introduction to Quantum Mechanics, 2nd Edition is a lucid introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for those varying degrees of background. - Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications - Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers - Presents additional problems and exercises to further support learning
Author: Frank Jensen
Publisher: John Wiley & Sons
ISBN: 1118825950
Category : Science
Languages : en
Pages : 1056
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Book Description
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
