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Author : K. A. Thomson
Publisher :
ISBN 13 :
Total Pages : 302 pages
Book Rating : 4.:/5 (22 download)
Download or read book A Quantum Mechanical Study of Molecules with [pi] Electrons written by K. A. Thomson and published by . This book was released on 1969 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Roop C. Sahni
Publisher :
ISBN 13 :
Total Pages : 56 pages
Book Rating : 4.:/5 (31 download)
Download or read book Quantum Mechanical Study of Molecules written by Roop C. Sahni and published by . This book was released on 1964 with total page 56 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Roop C. Sahni
Publisher :
ISBN 13 :
Total Pages : 36 pages
Book Rating : 4.:/5 (317 download)
Download or read book Quantum Mechanical Study of Molecules written by Roop C. Sahni and published by . This book was released on 1967 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Chérif F. Matta
Publisher : John Wiley & Sons
ISBN 13 : 3527610693
Total Pages : 567 pages
Book Rating : 4.5/5 (276 download)
Download or read book The Quantum Theory of Atoms in Molecules written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2007-06-27 with total page 567 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.
Author :
Publisher : Academic Press
ISBN 13 : 0128030615
Total Pages : 441 pages
Book Rating : 4.1/5 (28 download)
Download or read book Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry written by and published by Academic Press. This book was released on 2016-01-28 with total page 441 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology - Features detailed reviews written by leading international researchers - The volume includes review on all the topics treated by world renown authors and cutting edge research contributions.
Author : Valerio Magnasco
Publisher : John Wiley & Sons
ISBN 13 : 0470684542
Total Pages : 299 pages
Book Rating : 4.4/5 (76 download)
Download or read book Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by John Wiley & Sons. This book was released on 2009-10-29 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods of Molecular Quantum Mechanics This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
Author : Gene Paul Barnett
Publisher :
ISBN 13 :
Total Pages : 102 pages
Book Rating : 4.F/5 ( download)
Download or read book A Quantum Mechanical Study of Small Diatomic Molecules written by Gene Paul Barnett and published by . This book was released on 1962 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Roop C. Sahni
Publisher :
ISBN 13 :
Total Pages : 46 pages
Book Rating : 4.:/5 (633 download)
Download or read book Quantum Mechanical Study of Molecules written by Roop C. Sahni and published by . This book was released on 1964 with total page 46 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jean-Louis Calais
Publisher : Springer Science & Business Media
ISBN 13 :
Total Pages : 286 pages
Book Rating : 4.F/5 ( download)
Download or read book Structure and Dynamics of Atoms and Molecules written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 1995 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: A companion volume to Conceptual Trends in Quantum Chemistry, this work contains eight contributions focusing on important conceptual trends in atomic and molecular theory. The polarization between ab initio and semi-empirical methods is thoroughly analyzed in two of the articles, which also provide bridges between such procedures. Hydrogen-transfer theory and electron delocalization are treated in two further papers. Explicitly time-dependent descriptions of intermolecular dynamics, which constitute a characteristic trend in current research, are represented by an article about the quantum dynamics of diatoms in external fields. A view of certain atomic excited states is presented in a paper on collective and independent particle character, and a new theoretical tool is surveyed in an article on dimensional scaling. The final article analyzes density functional theory.
Author : Frank L. Pilar
Publisher : Courier Corporation
ISBN 13 : 9780486414645
Total Pages : 646 pages
Book Rating : 4.4/5 (146 download)
Download or read book Elementary Quantum Chemistry written by Frank L. Pilar and published by Courier Corporation. This book was released on 2001-01-01 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.
Author : Henry F. Schaefer
Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.:/5 (44 download)
Download or read book The Electronic Structure of Atoms and Molecules written by Henry F. Schaefer and published by . This book was released on 1972 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Roy McWeeny
Publisher :
ISBN 13 :
Total Pages : 28 pages
Book Rating : 4.:/5 (227 download)
Download or read book Quantum Mechanical Studies of the Electronic Structure and Properties of Molecules written by Roy McWeeny and published by . This book was released on 1967 with total page 28 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report describes research on general many-electron theory. This is divided into: (1) general nature of electron correlation in molecules, (2) theory of configuration interaction expansions, and (3) multiconfiguration optimization procedures. Secondly, calculation of molecular wave functions is undertaken. The emphasis has been on approximate ab initio calculations, in which all electrons are included but the orbital basis used is so chosen that the many-center two-electron integrals take values as small as possible. First calculations have been for molecules involving first row elements. Thirdly, research on the theory of molecular properties is discussed. Specifically considered are open-shell perturbation theory, magnetic perturbations, and spin coupling effects. (Author).
Author : Duli Chandra Jain
Publisher :
ISBN 13 :
Total Pages : 50 pages
Book Rating : 4.:/5 (31 download)
Download or read book Quantum Mechanical Study of Molecules Transition Probabilities written by Duli Chandra Jain and published by . This book was released on 1967 with total page 50 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : R. G. Woolley
Publisher : Springer Science & Business Media
ISBN 13 : 1468437372
Total Pages : 560 pages
Book Rating : 4.4/5 (684 download)
Download or read book Quantum Dynamics of Molecules written by R. G. Woolley and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advanced Study Institute on "Quantum Dynamics of Molecules: The New Experimental Challenge to Theorists," which was sponsored by the Scientific Affairs Division of NATO, was held at Trinity Hall, Ca~bridge, England from September 15th till September 29th, 1979. In all, a total of 79 lecturers and students attended the meeting: they had diverse backgrounds in chemistry, physics and mathematics. In my proposal to NATO requesting financial support for an Advanced Study Institute, I suggested that molecular physics was facing a qualitatively new experimental situation in which the exploration of previously inaccessible dynamical phenomena would become of increasing importance. At the same time I was aware that in recent years powerful theoretical techniques, that might prove crucial tools for the interpretation of the new experiments, have been developed in mathematics and theoretical physics. The aim of the ASI was to review at an advanced level these recent developments, juxtaposing new theory with new experimental pos sibilities in the hope that the participants in the-Institute would through their subsequent work increase the awareness of the whole molecular theory community of the changing nature of chemical physics. The recent developments in laser spectroscopy, particle scatter ing experiments and molecular beam technology imply that an entirely new class of phenomena involving molecules in gasses and liquids can now be investigated.
Author : Howard Stephen Taylor
Publisher :
ISBN 13 :
Total Pages : 746 pages
Book Rating : 4.:/5 (28 download)
Download or read book A Quantum Mechanical Study of Small Diatomic Molecules written by Howard Stephen Taylor and published by . This book was released on 1960 with total page 746 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : R. Daudel
Publisher : Springer Science & Business Media
ISBN 13 : 9401020957
Total Pages : 119 pages
Book Rating : 4.4/5 (1 download)
Download or read book Quantum Theory of the Chemical Bond written by R. Daudel and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present text is a rational analysis of the concept of the chemical bond by means of the principles of wave mechanics. The discussion of the material has been arranged so as to render its main content comprehensible for readers who may not have had pre"ious training in quantum mechanics. The text comprises three major parts. It begins with an exposition of the fundamental ideas. In this section the principles are reviewed from which de Broglie developed his mechanics; this allows the book to be read by chemistry majors and freshmen alike. However, we believe that it may also be of interest to university-and college teachers who must include certain aspects of quantum chemistry into their courses while being insufficiently familiar with the subject. It may even be of interest to science teachers in secondary schools. Finally, having been a witness to the evolution of these notions for over a quarter of a century, we present certain concepts from a particular point of view which might prove attractive to chemists of all kinds, perhaps even quantum chemists. The second, more technical part summarizes the methods of constructing wave functions that describe the electrons in molecules. This section can only be fully appreciated by those readers who are familiar with some aspects of the algorithms used in quantum mechanics.
Author :
Publisher :
ISBN 13 :
Total Pages : 592 pages
Book Rating : 4.F/5 ( download)
Download or read book Air Force Research Resumés written by and published by . This book was released on with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt:
