Atomic Hypothesis And The Concept Of Molecular Structure
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Atomic Hypothesis And The Concept Of Molecular Structure
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09
Atomic Hypothesis And The Concept Of Molecular Structure written by Zvonimir B. Maksic 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 2013-03-09 with Science categories.
"Imagination and shrewd guesswork are powerful instruments for acquiring scientific knowledge . . . " 1. H. van't Hoff The last decades have witnessed a rapid growth of quantum chemistry and a tremendous increase in the number of very accurate ab initio calculations of the electronic structure of molecules yielding results of admirable accuracy. This dramatic progress has opened a new stage in the quantum mechanical description of matter at the molecular level. In the first place, highly accurate results provide severe tests of the quantum mecha nics. Secondly, modern quantitative computational ab initio methods can be synergetically combined with various experimen tal techniques thus enabling precise numerical characterization of molecular properties better than ever anticipated earlier. However, the role of theory is not exhausted in disclosing the fundamental laws of Nature and production of ever increasing sets of data of high accuracy. It has to provide additionally a means of systematization, recognition of regularities, and ratio nalization of the myriads of established facts avoiding in this way complete chaos. Additional problems are represented by molecular wavefunctions provided by the modern high-level computational quantum chemistry methods. They involve, in principle, all the information on molecular system, but they are so immensely complex that can not be immediately understood in simple and physically meaningful terms. Both of these aspects, categorization and interpretation, call for conceptual models which should be preferably pictorial, transparent, intuitively appealing and well-founded, being sometimes useful for semi quantitative purposes.
Atoms In Molecules
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Author : Richard F. W. Bader
language : en
Publisher: Oxford University Press on Demand
Release Date : 1994
Atoms In Molecules written by Richard F. W. Bader and has been published by Oxford University Press on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Science categories.
The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry.
Atomic Structure Theory
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Author : Walter R. Johnson
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-03-08
Atomic Structure Theory written by Walter R. Johnson 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 2007-03-08 with Science categories.
Atomic Structure Theory is a textbook for students with a background in quantum mechanics. The text is designed to give hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements. Numerical methods for solving the Schrödinger and Dirac eigenvalue problems and the (Dirac)-Hartree-Fock equations are given as well. B-spline basis sets are used to carry out sums arising in higher-order many-body calculations. Illustrative problems are provided, together with solutions. FORTRAN programs implementing the numerical methods in the text are included.
Relativistic Quantum Theory Of Atoms And Molecules
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Author : Ian P Grant
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-04-15
Relativistic Quantum Theory Of Atoms And Molecules written by Ian P Grant 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 2007-04-15 with Science categories.
This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.
Introduction To Quantum Theory And Atomic Structure
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Author : P. A. Cox
language : en
Publisher: Oxford University Press, USA
Release Date : 1996
Introduction To Quantum Theory And Atomic Structure written by P. A. Cox and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Science categories.
All chemistry students need a basic understanding of quantum theory and its applications in atomic and molecular structure and spectroscopy. This book provides a gentle introduction to the subject with the required background in physics and mathematics kept to a minimum. It develops the basic concepts needed as background. The emphasis throughout is on the physical concepts and their application in chemistry, especially to atoms and to the periodic table of elements
The Quantum Theory Of Atoms In Molecules
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Author : Chérif F. Matta
language : en
Publisher: John Wiley & Sons
Release Date : 2007-04-09
The Quantum Theory Of Atoms In Molecules written by Chérif F. Matta 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 2007-04-09 with Science categories.
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.
Atomic Hypothesis And The Concept Of Molecular Structure
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Author : L. D. Barron
language : en
Publisher:
Release Date : 1990
Atomic Hypothesis And The Concept Of Molecular Structure written by L. D. Barron and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Atomic theory categories.
Atomic Structure
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Author : Edward Uhler Condon
language : en
Publisher: CUP Archive
Release Date : 1980-05-30
Atomic Structure written by Edward Uhler Condon and has been published by CUP Archive this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980-05-30 with Science categories.
The late Professor Condon and Halis Odabşi collaborate to produce an integrated account of the electron structure of atoms.
Atomic Hypothesis And The Concept Of Molecular Structure
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Author : Zvonimir B. Maksic
language : en
Publisher: Springer
Release Date : 2013-11-20
Atomic Hypothesis And The Concept Of Molecular Structure written by Zvonimir B. Maksic and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-11-20 with Science categories.
"Imagination and shrewd guesswork are powerful instruments for acquiring scientific knowledge . . . " 1. H. van't Hoff The last decades have witnessed a rapid growth of quantum chemistry and a tremendous increase in the number of very accurate ab initio calculations of the electronic structure of molecules yielding results of admirable accuracy. This dramatic progress has opened a new stage in the quantum mechanical description of matter at the molecular level. In the first place, highly accurate results provide severe tests of the quantum mecha nics. Secondly, modern quantitative computational ab initio methods can be synergetically combined with various experimen tal techniques thus enabling precise numerical characterization of molecular properties better than ever anticipated earlier. However, the role of theory is not exhausted in disclosing the fundamental laws of Nature and production of ever increasing sets of data of high accuracy. It has to provide additionally a means of systematization, recognition of regularities, and ratio nalization of the myriads of established facts avoiding in this way complete chaos. Additional problems are represented by molecular wavefunctions provided by the modern high-level computational quantum chemistry methods. They involve, in principle, all the information on molecular system, but they are so immensely complex that can not be immediately understood in simple and physically meaningful terms. Both of these aspects, categorization and interpretation, call for conceptual models which should be preferably pictorial, transparent, intuitively appealing and well-founded, being sometimes useful for semi quantitative purposes.
Applications Of Group Theory To Atoms Molecules And Solids
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Author : Thomas Wolfram
language : en
Publisher: Cambridge University Press
Release Date : 2014-01-09
Applications Of Group Theory To Atoms Molecules And Solids written by Thomas Wolfram and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-09 with Mathematics categories.
An applications-oriented approach gives graduate students and researchers in the physical sciences the tools needed to analyze any physical system.