Download or read book H ckel Molecular Orbital Theory written by Keith Yates and published by Elsevier. This book was released on 2012-12-02 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book H ckel Molecular Orbital Theory written by and published by . This book was released on 1978 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book HMO H ckel Molecular Orbitals written by Edgar Heilbronner and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 774 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Huckel molecular orbitals HMO written by Edgar Heilbronner and published by . This book was released on with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book H ckel Theory for Organic Chemists written by Charles Alfred Coulson and published by . This book was released on 1978 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Huckel molecular orbital theory Keith Yates written by Keith Yates and published by . This book was released on 1978 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book HMO H ckel Molecular Orbitals written by Edgar Heilbronner and published by Springer. This book was released on 2014-11-28 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods written by G.H. Wagniere and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt: These notes summarize in part lectures held regularly at the University of Zurich and, in the Summer of 1974, at the Semi nario Latinoamericano de QUimica Cuantica in Mexico. I am grateful to those who have encouraged me to publish these lec tures or have contributed to them by their suggestions. In particular, I wish to thank Professor J. Keller of the Univer sidad Nacional Autonoma in Mexico, Professor H. Labhart and Professor H. Fischer of the University of Zurich, as well as my former students Dr. J. Kuhn, Dr. W. Hug and Dr. R. Geiger. The aim of these notes is to provtde a summary and concise introduction to elementary molecular orbital theory, with an emphasis on semiempirical methods. Within the last decade the development and refinement of ab initio computations has tended to overshadow the usefulness of semiempirical methods. However, both approaches have their justification. Ab initio methods are designed for accurate predictions, at the expense of greater computational labor. The aim of semiempirical methods mainly lies in a semiquantitative classification of electronic pro perties and in the search for regularities within given classes of larger molecules. The reader is supposed to have had some previous basic instruc tion in quantum mechanics, such as is now offered in many uni versities to chemists in their third or fourth year of study. The bibliography should encourage the reader to consult other texts, in particular also selected publications in scientific journals.
Download or read book Inorganic Chemistry written by Catherine E. Housecroft and published by . This book was released on 2001 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: This manual contains Catherine Housecroft's detailed worked solutions to all the end of chapter problems within Inorganic Chemistry. It provides fully worked answers to all non-descriptive problems; bullet-point essay plans; general notes of further explanation of particular topics and tips on completing problems; cross-references to main text and to other relevant problems; margin notes for guidance and graphs, structures and diagrams. It includes Periodic table and Table of Physical Constants for reference. This manual should be a useful tool in helping students to grasp problem-solving skills and to both lecturers and students who are using the main Inorganic Chemistry text.
Download or read book Approximate Molecular Orbital Theory written by John A. Pople and published by . This book was released on 1970 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Two dimensional H ckel Molecular Orbital Theory written by Sven J. Cyvin and published by . This book was released on 1982 with total page 16 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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.
Download or read book H M O Huckel Molecular Orbitals written by E. Heilbronner 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 Semi empirical Self consistent field Molecular Orbital Theory of Molecules written by John Norman Murrell and published by John Wiley & Sons. This book was released on 1972 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Tables of H ckel molecular orbitals written by Edgar Heilbronner and published by . This book was released on 1976 with total page 190 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 Molecular Orbitals of Transition Metal Complexes written by Yves Jean and published by Oxford University Press. This book was released on 2005-03-24 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book starts with the most elementary ideas of molecular orbital theory and leads the reader progressively to an understanding of the electronic structure, geometry and, in some cases, reactivity of transition metal complexes. The qualitative orbital approach, based on simple notions such as symmetry, overlap and electronegativity, is the focus of the presentation and a substantial part of the book is associated with the mechanics of the assembly of molecular orbital diagrams. The first chapter recalls the basis for electron counting in transition metal complexes. The main ligand fields (octahedral, square planar, tetrahedral, etc.) are studied in the second chapter and the structure of the "d block" is used to trace the relationships between the electronic structure and the geometry of the complexes. The third chapter studies the change in analysis when the ligands have pi-type interactions with the metal. All these ideas are then used in the fourth chapter to study a series of selected applications of varying complexity (e.g. structure and reactivity). The fifth chapter deals with the "isolobal analogy" which points out the resemblance between the molecular orbitals of inorganic and organic species and provides a bridge between these two subfields of chemistry. The last chapter is devoted to a presentation of basic Group Theory with applications to some of the complexes studied in the earlier chapters.
