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Author : Bernard Jerome Ransil
Publisher :
ISBN 13 :
Total Pages : 44 pages
Book Rating : 4.:/5 (6 download)
Download or read book A Molecular Orbital Treatment of Simple Open Shell Molecular Systems written by Bernard Jerome Ransil and published by . This book was released on 1955 with total page 44 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernard J. Ransil
Publisher :
ISBN 13 :
Total Pages : 29 pages
Book Rating : 4.:/5 (459 download)
Download or read book A Molecular Orbital Treatment of Simple Open Shell Molecular Systems, a Dissertation... by Bernard J. Ransil,... written by Bernard J. Ransil and published by . This book was released on 1955 with total page 29 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernard Jerome Ransil
Publisher :
ISBN 13 : 9780598768360
Total Pages : 35 pages
Book Rating : 4.7/5 (683 download)
Download or read book A Molecular Orbital Treatment of Simple Open Shell Molecular Systems written by Bernard Jerome Ransil and published by . This book was released on with total page 35 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernard Jerome Ransil
Publisher :
ISBN 13 :
Total Pages : 40 pages
Book Rating : 4.3/5 (91 download)
Download or read book A Molecular Orbital Treatment of Simple Open Shell Molecular Systems written by Bernard Jerome Ransil and published by . This book was released on 1955 with total page 40 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernard Jerome RANSIL
Publisher :
ISBN 13 :
Total Pages : 29 pages
Book Rating : 4.:/5 (54 download)
Download or read book A Molecular Orbital Treatment of Simple Open Shell Molecular Systems. A Dissertation, Etc written by Bernard Jerome RANSIL and published by . This book was released on 1955 with total page 29 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernard Jerome Ransil
Publisher :
ISBN 13 :
Total Pages : 29 pages
Book Rating : 4.:/5 (869 download)
Download or read book A Molecular Orbital Treatement of Simple Open Shell Molecular Systems written by Bernard Jerome Ransil and published by . This book was released on 1955 with total page 29 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Bernard J. Ransil
Publisher :
ISBN 13 :
Total Pages : 29 pages
Book Rating : 4.:/5 (878 download)
Download or read book A Molecular Orbital Treatment of Simple Open Shell Molecular Sistems written by Bernard J. Ransil and published by . This book was released on 1955 with total page 29 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Abby L. Parrill
Publisher : John Wiley & Sons
ISBN 13 : 1119356008
Total Pages : 392 pages
Book Rating : 4.1/5 (193 download)
Download or read book Reviews in Computational Chemistry written by Abby L. Parrill and published by John Wiley & Sons. This book was released on 2017-03-07 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise
Author : CATHOLIC UNIV OF AMERICA WASHINGTON DC.
Publisher :
ISBN 13 :
Total Pages : 1 pages
Book Rating : 4.:/5 (227 download)
Download or read book A Study of NH Radical by the LCAO-SCF Molecular Orbital Method (A). A Molecular Orbital Treatment of Simple Open Shell Molecular Systems written by CATHOLIC UNIV OF AMERICA WASHINGTON DC. and published by . This book was released on 1958 with total page 1 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Keith Yates
Publisher : Elsevier
ISBN 13 : 0323152996
Total Pages : 384 pages
Book Rating : 4.3/5 (231 download)
Download or read book Hückel 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.
Author : G.H. Wagniere
Publisher : Springer Science & Business Media
ISBN 13 : 3642930506
Total Pages : 114 pages
Book Rating : 4.6/5 (429 download)
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.
Author : Robert L. Flurry
Publisher :
ISBN 13 :
Total Pages : 398 pages
Book Rating : 4.3/5 (91 download)
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:
Author :
Publisher :
ISBN 13 :
Total Pages : 1394 pages
Book Rating : 4.3/5 (243 download)
Download or read book Information Circular written by and published by . This book was released on 1968 with total page 1394 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Henry F. Schaefer
Publisher : Springer Science & Business Media
ISBN 13 : 1475708874
Total Pages : 476 pages
Book Rating : 4.4/5 (757 download)
Download or read book Methods of Electronic Structure Theory written by Henry F. Schaefer and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.
Author : Anne-Marie Sapse
Publisher : Oxford University Press
ISBN 13 : 0195356845
Total Pages : 248 pages
Book Rating : 4.1/5 (953 download)
Download or read book Molecular Orbital Calculations for Biological Systems written by Anne-Marie Sapse and published by Oxford University Press. This book was released on 1998-11-12 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Orbital Calculations for Biological Systems is a hands-on guide to computational quantum chemistry and its applications in organic chemistry, biochemistry, and molecular biology. With improvements in software, molecular modeling techniques are now becoming widely available; they are increasingly used to complement experimental results, saving significant amounts of lab time. Common applications include pharmaceutical research and development; for example, ab initio and semi-empirical methods are playing important roles in peptide investigations and in drug design. The opening chapters provide an introduction for the non-quantum chemist to the basic quantum chemistry methods, ab initio, semi-empirical, and density functionals, as well as to one of the main families of computer programs, the Gaussian series. The second part then describes current research which applies quantum chemistry methods to such biological systems as amino acids, peptides, and anti-cancer drugs. Throughout the authors seek to encourage biochemists to discover aspects of their own research which might benefit from computational work. They also show that the methods are accessible to researchers from a wide range of mathematical backgrounds. Combining concise introductions with practical advice, this volume will be an invaluable tool for research on biological systems.
Author : Charles Stuart Mccaw
Publisher : World Scientific Publishing Company
ISBN 13 : 1783264160
Total Pages : 276 pages
Book Rating : 4.7/5 (832 download)
Download or read book Orbitals: With Applications In Atomic Spectra written by Charles Stuart Mccaw and published by World Scientific Publishing Company. This book was released on 2015-03-30 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation.Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.
Author : Michael James Steuart Dewar
Publisher :
ISBN 13 :
Total Pages : 520 pages
Book Rating : 4.:/5 (318 download)
Download or read book The Molecular Orbital Theory of Organic Chemistry written by Michael James Steuart Dewar and published by . This book was released on 1969 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt:
