Download or read book Direct calculation of the bond order matrix in the molecular orbital theory of conjugated systems written by Hans Looyenga and published by . This book was released on 1962 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Molecular Orbital Theory of Conjugated Systems written by Lionel Salem and published by . This book was released on 1966 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Methods in Molecular Orbital Theory written by Almon G. Turner and published by Prentice Hall. This book was released on 1974 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Topological Approach to the Chemistry of Conjugated Molecules written by A. Graovac and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 131 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The second step is to determine constitution, Le. which atoms are bonded to which and by what types of bond. The result is ex pressed by a planar graph (or the corresponding connectivity mat rix) •••• In constitutional formulae, the atoms are represented by letters and the bonds by lines. They describe the topology of the molecule." VLADIMIR PRELOG, Nobel Lecture, December l2;h 1975. In the present notes we describe the topological approach to the che mistry of conjugated molecules using graph-theoretical concepts. Con jugatedstructures may be conveniently studied using planar and connec ted graphs because they reflect in the simple way the connectivity of their pi-centers. Connectivity is important topological property of a molecule which allows a conceptual qualitative understanding, via a non numerical analysis, of many chemical phenomena or at least that part of phenomenon which depends on topology. This would not be possible sole ly by means of numerical (molecular orbital) analysis.
Download or read book Symmetry in Bonding and Spectra written by Bodie E. Douglas and published by Academic Press. This book was released on 2012-12-02 with total page 469 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Molecular Orbital Calculations Using Chemical Graph Theory written by Jerry R. Dias and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 123 pages. Available in PDF, EPUB and Kindle. Book excerpt: Professor John D. Roberts published a highly readable book on Molecular Orbital Calculations directed toward chemists in 1962. That timely book is the model for this book. The audience this book is directed toward are senior undergraduate and beginning graduate students as well as practicing bench chemists who have a desire to develop conceptual tools for understanding chemical phenomena. Although, ab initio and more advanced semi-empirical MO methods are regarded as being more reliable than HMO in an absolute sense, there is good evidence that HMO provides reliable relative answers particularly when comparing related molecular species. Thus, HMO can be used to rationalize electronic structure in 1t-systems, aromaticity, and the shape use HMO to gain insight of simple molecular orbitals. Experimentalists still into subtle electronic interactions for interpretation of UV and photoelectron spectra. Herein, it will be shown that one can use graph theory to streamline their HMO computational efforts and to arrive at answers quickly without the aid of a group theory or a computer program of which the experimentalist has no understanding. The merging of mathematical graph theory with chemical theory is the formalization of what most chemists do in a more or less intuitive mode. Chemists currently use graphical images to embody chemical information in compact form which can be transformed into algebraical sets. Chemical graph theory provides simple descriptive interpretations of complicated quantum mechanical calculations and is, thereby, in-itself-by-itself an important discipline of study.
Download or read book Science Abstracts written by and published by . This book was released on 1963 with total page 1758 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Pictorial Approach to Molecular Bonding written by John G. Verkade and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the development of accurate molecular calculations in recent years, useful predictions of molecular electronic properties are currently being made. It is therefore becoming increasingly important for the non-theoretically oriented chemist to appreciate the underlying principles governing molecular orbital formation and to distinguish them from the quantitative details as sociated with particular molecules. It seems highly desirable then that the non theoretician be able to deduce results of general validity without esoteric mathematics. In this context, pictorial reasoning is particularly useful. Such an approach is virtually indispensable if bonding concepts are to be taught to chemistry students early in their careers. Undergraduate chemistry majors typically find it difficult to formulate molecular orbital schemes, especially delocalized ones, for molecules more complicated than diatomics. The major reason for this regrettable situation is the general impracticability of teaching group theory before students take organic and inorganic courses, wherein the applications of these concepts are most beneficial. Consequently many students graduate with the misconcep tion that the ground rules governing bonding in molecules such as NH3 are somehow different from those which apply to aromatic systems such as C H • 6 6 Conversely, seniors and many graduate students are usually only vaguely, if at all, aware that sigma bonding (like extended pi bonding) can profitably be described in a delocalized manner when discussing the UV-photoelectron spectrum of CH , for example.
Download or read book Molecular Orbital Theories of Bonding in Organic Molecules written by Robert L. Flurry and published by . This book was released on 1968 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1992-04-08 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
Download or read book Alternant Molecular Orbital Method written by Ruben Pauncz and published by . This book was released on 1967 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Introduction to Molecular orbital Theory written by Arno Liberles and published by . This book was released on 1966 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book MOLECULAR ORBITAL THEORY OF CONJUGATED SYSTEMS written by and published by . This book was released on 1966 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Molecular Orbital Theory of Conjugated Systems written by Ernst Nolte and published by . This book was released on 1966 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory and Practice of MO Calculations on Organic Molecules written by I. G. Csizmadia and published by Elsevier Science & Technology. This book was released on 1976 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Pictorial Approach to Molecular Bonding and Vibrations written by John G. Verkade and published by Springer. This book was released on 1997 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding molecular orbitals (MOs) is a prerequisite to appreciating many physical and chemical properties of matter. This extensively revised second edition of A Pictorial Approach to Molecular Bonding presents the author's innovative approach to MOs, generating them pictorially for a wide variety of molecular geometries. A major enhancement to the second edition is the Pi and Macintosh-compatible Nodegame software, which is coordinated with the text and aids in pictorially teaching molecular orbital theory using generator orbitals.
Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
