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Download or read book LOCALIZED SELF-CONSISTENT FIELD ORBITALS IN ATOMS AND MOLECULES. written by and published by . This book was released on 1965 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : John Norman Murrell
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 200 pages
Book Rating : 4.:/5 (44 download)
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:
Author : Odilon Chalvet
Publisher : Springer
ISBN 13 : 9027705593
Total Pages : 362 pages
Book Rating : 4.0/5 (277 download)
Download or read book Atoms and Molecules in the Ground State written by Odilon Chalvet and published by Springer. This book was released on 1975-05-31 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is devoted to a general discussion about localization and delocalization in quantum chemistry. The first volume is concerned with molecules in their ground state. It is made of papers presented during the academic year 73-74 at an international seminar organized by some members of the 'Centre de Mecanique Ondulatoire Appli quee du C.N.R.S.' and some members of the 'Laboratoire de Chimie Quantique de l'Institut de Biologie Physico-Chimique'. It contains also reports of discussions which followed the presentation of invited papers. It is a 'forum' in which each expert gives his opinion on a work in progress. The volume is divided into four parts. The first one is a statistical analysis of the localizability of molecular electrons in the three-dimensional space. It contains an exposition of the basic ideas of the loge theory which provides a framework to do such an analysis. The second part is concerned with the separability of a molecular wave function and its expression in terms of localized elements. An exploration is made of the rela tionship between the localizability of electrons and the possibility of expressing the wave function in terms of localized orbitals. The third part is devoted to the partition of the energy in local contributions.
Author :
Publisher :
ISBN 13 :
Total Pages : 540 pages
Book Rating : 4.3/5 (91 download)
Download or read book Annual Summary Research Report of Chemistry, Engineering, Metallurgy, Physics and Reactor Divisions written by and published by . This book was released on 1965 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jean-Louis Calais
Publisher : Springer Science & Business Media
ISBN 13 : 9401102635
Total Pages : 269 pages
Book Rating : 4.4/5 (11 download)
Download or read book Structure and Dynamics of Atoms and Molecules: Conceptual Trends written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 269 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Author : Ames Laboratory
Publisher :
ISBN 13 :
Total Pages : 504 pages
Book Rating : 4.:/5 (319 download)
Download or read book Annual Summary Research Report of Chemistry, Engineering, Metallurgy, Physics, and Reactor Divisions written by Ames Laboratory and published by . This book was released on 1965 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Victor M. S. Gil
Publisher : Cambridge University Press
ISBN 13 : 9780521666497
Total Pages : 336 pages
Book Rating : 4.6/5 (664 download)
Download or read book Orbitals in Chemistry written by Victor M. S. Gil and published by Cambridge University Press. This book was released on 2000-08-10 with total page 336 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents a unified and up-to-date discussion of the role of atomic and molecular orbitals in chemistry, from the quantum mechanical foundations to the recent developments and applications. The discussion is mainly qualitative, largely based on symmetry arguments. It is felt that a sound mastering of the concepts and qualitative interpretations is needed, especially when students are becoming more and more familiar with numerical calculations based on atomic and molecular orbitals. The text is mathematically less demanding than most traditional quantum chemistry books but still retains clarity and rigour. The physical insight is maximized and abundant illustrations are used. The relationships between the more formal quantum mechanical formalisms and the traditional chemical descriptions of chemical bonding are critically established. This book is of primary interest to undergraduate chemistry students and others taking courses of which chemistry is a significant part.
Author : Christopher Cramer
Publisher : Springer Science & Business Media
ISBN 13 : 3662104210
Total Pages : 205 pages
Book Rating : 4.6/5 (621 download)
Download or read book Theoretical Chemistry Accounts written by Christopher Cramer and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: For the New Century Issue of the journal "Theroretical Chemistry Accounts" the advisory editors identified papers from the first century of theoretical chemistry and discussed their importance for the twentieth century with an eye towards the twenty-first century. Sixty-six such perspectives are published in the New Century Issue. To make this unique collection available to younger scientists for entertaining reading and re-reading of the original publications, the publisher decided to reprint a special edition of the issue.
Author : John Henry Hall
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (769 download)
Download or read book Self-consistent Field and Localized Orbital Treatments of Polyatomic Molecules written by John Henry Hall and published by . This book was released on 1974 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : N. H. March
Publisher : Elsevier
ISBN 13 : 1483140164
Total Pages : 244 pages
Book Rating : 4.4/5 (831 download)
Download or read book Self-Consistent Fields in Atoms written by N. H. March and published by Elsevier. This book was released on 2016-06-28 with total page 244 pages. Available in PDF, EPUB and Kindle. Book excerpt: Self-Consistent Fields in Atoms: Hartree and Thomas-Fermi atoms centers on atomic properties- energy levels, binding energies, how atoms scatter X-rays, what magnetic properties they have, and so on. This book is organized into two parts. Part I contains topics including central field wave functions and angular momentum operators; concept of self-consistent field; Thomas-Fermi atom; energies of atoms and ions; X-ray scattering and electron densities in atoms; and relativistic effects in heavy atoms. Part II discusses the wave mechanics of an atom with a non-Coulomb central field; the calculation of atomic fields; a statistical method for the determination of some atomic properties and the application of this method to the theory of the periodic system of elements; and a simplification of the Hartree-Fock method.
Author :
Publisher :
ISBN 13 :
Total Pages : 1148 pages
Book Rating : 4.3/5 (91 download)
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1973 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 886 pages
Book Rating : 4.3/5 (91 download)
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1968 with total page 886 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Author : Jean-Louis Rivail
Publisher : Springer
ISBN 13 : 3319216260
Total Pages : 524 pages
Book Rating : 4.3/5 (192 download)
Download or read book Quantum Modeling of Complex Molecular Systems written by Jean-Louis Rivail and published by Springer. This book was released on 2015-10-13 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Author : Ronald J Gillespie
Publisher : Courier Corporation
ISBN 13 : 0486310523
Total Pages : 274 pages
Book Rating : 4.4/5 (863 download)
Download or read book The VSEPR Model of Molecular Geometry written by Ronald J Gillespie and published by Courier Corporation. This book was released on 2013-03-21 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: Valence Shell Electron Pair Repulsion (VSEPR) theory is a simple technique for predicting the geometry of atomic centers in small molecules and molecular ions. This authoritative reference was written by Istvan Hartiggai and the developer of VSEPR theory, Ronald J. Gillespie. In addition to its value as a text for courses in molecular geometry and chemistry, it constitutes a classic reference for professionals. Starting with coverage of the broader aspects of VSEPR, this volume narrows its focus to a succinct survey of the methods of structural determination. Additional topics include the applications of the VSEPR model and its theoretical basis. Helpful data on molecular geometries, bond lengths, and bond angles appear in tables and other graphics.
Author : Dunod Editeur
Publisher : World Scientific
ISBN 13 : 9814498939
Total Pages : 309 pages
Book Rating : 4.8/5 (144 download)
Download or read book Electronic Structure And Chemical Bonding written by Dunod Editeur and published by World Scientific. This book was released on 1996-09-20 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the problem of teaching the Electronic Structure and Chemical Bonding of atoms and molecules to high school and university students. It presents the outcomes of thorough investigations of some teaching methods as well as an unconventional didactical approach which were developed during a seminar for further training organized by the University of Bordeaux I for teachers of the physical sciences.The text is the result of a collective effort by eleven scientists and teachers: physicists and chemists doing research at the university or at the CRNS, university professors, and science teachers at high-school or university level.While remaining wide open to the latest discoveries of science, the text also offers a large number of problems along with their solutions and is illustrated by several pedagogic suggestions. It is intended for the use of teachers and students of physics, chemistry, and of the physical sciences in general.
Author : Frank Jensen
Publisher : John Wiley & Sons
ISBN 13 : 1118825985
Total Pages : 664 pages
Book Rating : 4.1/5 (188 download)
Download or read book Introduction to Computational Chemistry written by Frank Jensen and published by John Wiley & Sons. This book was released on 2016-11-28 with total page 664 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Author :
Publisher :
ISBN 13 :
Total Pages : 1068 pages
Book Rating : 4.0/5 ( download)
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1972-04 with total page 1068 pages. Available in PDF, EPUB and Kindle. Book excerpt:
