Molecular Orbital Theory
DOWNLOAD
Download Molecular Orbital Theory PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Molecular Orbital Theory book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Molecular Orbital Theory
DOWNLOAD
Author : C. J. Ballhausen
language : en
Publisher:
Release Date : 1965
Molecular Orbital Theory written by C. J. Ballhausen and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1965 with Chemistry, Physical and theoretical categories.
Introduction To Elementary Molecular Orbital Theory And To Semiempirical Methods
DOWNLOAD
Author : G.H. Wagniere
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Introduction To Elementary Molecular Orbital Theory And To Semiempirical Methods written by G.H. Wagniere and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
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.
H Ckel Molecular Orbital Theory
DOWNLOAD
Author : Keith Yates
language : en
Publisher: Elsevier
Release Date : 2012-12-02
H Ckel Molecular Orbital Theory written by Keith Yates and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
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.
Atomic And Molecular Orbital Theory
DOWNLOAD
Author : Peter O'D. Offenhartz
language : en
Publisher:
Release Date : 1970
Atomic And Molecular Orbital Theory written by Peter O'D. Offenhartz and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with Science categories.
Molecular Orbitals Of Transition Metal Complexes
DOWNLOAD
Author : Yves Jean
language : en
Publisher: OUP Oxford
Release Date : 2005-03-24
Molecular Orbitals Of Transition Metal Complexes written by Yves Jean and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-03-24 with Science categories.
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.
Selected Papers Of Robert S Mulliken
DOWNLOAD
Author : Robert S. Mulliken
language : en
Publisher: University of Chicago Press
Release Date : 1975-08
Selected Papers Of Robert S Mulliken written by Robert S. Mulliken and has been published by University of Chicago Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1975-08 with Science categories.
This book brings together in one volume the most important papers of Robert S. Mulliken, who was awarded the 1966 Nobel Prize in chemistry for his seminal work on chemical bonds and the electronic structures of molecules. The papers collected here range from suggestive to closely detailed analyses of various topics in the theory of spectra and electronic structure of diatomic and polyatomic molecules. Professor Mulliken has written introductory commentaries on each of the volume's seven parts. Included in the volume are essays of general as well as scientific interest; they are grouped under thematic headings. Part I contains those papers which are of historical significance. An autobiographical piece by Dr. Mulliken offers a glimpse of the many famous people whom he has known. Also reprinted is the text of his Nobel Prize acceptance speech. At the end is a list of his students and other co-workers, and a complete bibliography of his papers. Part II includes Mulliken's work on band spectra and chemistry as well as his research on the assignment of quantum numbers for electrons in molecules. Part III surveys the author's early work on the bonding power of electrons and the method of molecular orbitals. Included is a discussion of the structure and spectra of a number of important types of molecules. The papers in part IV focus on the intensities of electronic transitions in molecular spectra. This incorporates Mulliken's work on charge transfer and the halogen molecule spectra. The problems addressed in part V center on the spectra and structure of polyatomic molecules. Reprinted here is a report which Mulliken prepared on notation for polyatomic molecules. Part VI is devoted to the problem of hyperconjugation. These papers develop and apply the concept of hyperconjugation and explore its relation to the concept of conjugation. The last part offers some of the most important papers from the author's postwar publications. The central focus is on molecular orbital theory, the area in which Mulliken's Nobel-winning discoveries were made.
Molecular Orbital Theory In Drug Research
DOWNLOAD
Author : Lemont Kier
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Molecular Orbital Theory In Drug Research written by Lemont Kier and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Medical categories.
Medicinal Chemistry, Volume 10: Molecular Orbital Theory in Drug Research is a 12-chapter text that emerged from a series of lectures presented to graduate students in medicinal chemistry at the University of Michigan. After dealing with the general considerations of drug phenomena and quantum theory, this book goes on exploring the various molecular orbital calculation methods and the significance of molecular orbital indices. The subsequent chapters on the applications of molecular orbital theory are organized on the basis of physical chemical phenomena concluded from the studies described to be involved in the biological activity. These chapters also look into the correlations between indices reflecting covalent bond formation and biological activity. This text further examines the charge transfer mechanisms of several drug classes. The remaining chapters are devoted to the use of molecular orbital theory in several aspects of drug research, including molecular conformation, acid-base phenomena, hydrogen bonding, and dispersion forces. This work is directed to the advanced undergraduate or graduate students in medicinal chemistry or pharmacology, as well as to the practicing scientists interested in acquiring some understanding of molecular orbital theory. Theoretical chemists seeking information on biological phenomena amenable to semiempirical molecular orbital study will find this book invaluable.
Molecular Orbital Theory
DOWNLOAD
Author : Carl Johan Ballhausen
language : en
Publisher:
Release Date : 1964
Molecular Orbital Theory written by Carl Johan Ballhausen and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1964 with Science categories.
Orbital Interactions In Chemistry
DOWNLOAD
Author : Thomas A. Albright
language : en
Publisher: John Wiley & Sons
Release Date : 2013-04-08
Orbital Interactions In Chemistry written by Thomas A. Albright and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-08 with Science categories.
Explains the underlying structure that unites all disciplinesin chemistry Now in its second edition, this book explores organic,organometallic, inorganic, solid state, and materials chemistry,demonstrating how common molecular orbital situations arisethroughout the whole chemical spectrum. The authors explore therelationships that enable readers to grasp the theory thatunderlies and connects traditional fields of study withinchemistry, thereby providing a conceptual framework with which tothink about chemical structure and reactivity problems. Orbital Interactions in Chemistry begins by developingmodels and reviewing molecular orbital theory. Next, the bookexplores orbitals in the organic-main group as well as in solids.Lastly, the book examines orbital interaction patterns that occurin inorganic-organometallic fields as well as clusterchemistry, surface chemistry, and magnetism in solids. This Second Edition has been thoroughly revised andupdated with new discoveries and computational tools since thepublication of the first edition more than twenty-five years ago.Among the new content, readers will find: * Two new chapters dedicated to surface science and magneticproperties * Additional examples of quantum calculations, focusing oninorganic and organometallic chemistry * Expanded treatment of group theory * New results from photoelectron spectroscopy Each section ends with a set of problems, enabling readers totest their grasp of new concepts as they progress through the text.Solutions are available on the book's ftp site. Orbital Interactions in Chemistry is written for bothresearchers and students in organic, inorganic, solid state,materials, and computational chemistry. All readers will discoverthe underlying structure that unites all disciplines inchemistry.
The Molecular Orbital Theory Of Organic Chemistry
DOWNLOAD
Author : Michael James Steuart Dewar
language : en
Publisher:
Release Date : 1969
The Molecular Orbital Theory Of Organic Chemistry written by Michael James Steuart Dewar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1969 with Science categories.