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Paperback or Softback. Condition: New. Contributions within Density Functional Theory with Applications in Chemical Reactivity Theory and Electronegativity. Book.
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ISBN 10: 1581121849 ISBN 13: 9781581121841
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Taschenbuch. Condition: Neu. Neuware - In the limits of the density functional theory there are introduced and deduced fundamental chemical descriptors as the chemical action concept, the chemical field, new electronegativity, rate reaction and chemical hardness formulations, the reduced total energy and the partial Hohenberg-Kohn functionals. For electronic density computations the quantum statistic picture of the path integral Feynman-Kleinert formalism is employed to its markovian approximation, providing the framework in which the majority of the chemical reactions and the reactivity of the electronic systems can be treated together with the internal and environmental couplings. Evaluation, representation and interpretation of the present analyzed chemical indices are performed for a prototype many-electronic system such that its electronic structure to display fundamental and excited anharmonic vibrations being in the thermal coupling with the medium. The chemical descriptors introduced and computed shall contribute to the foundation of the chemical reactivity on the conceptual and analytical physical bases, being able to predict the chemical transformations and the characterization of the bonds formation.
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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - Estimation of atomic and group electronegativities.- Absolute electronegativities as determined from Kohn-Sham theory.- Simple density functional theory of the electronegativity and other related properties of atoms and ions.- Fukui function, electronegativity and hardness in the Kohn-Sham theory.- Electronegativity of atoms and molecular fragments.- Electronegativity equalization and its applications.- Electronegativity and charge distribution.
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ISBN 10: 1604569379 ISBN 13: 9781604569377
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LeatherBound. Condition: New. BOOKS ARE EXEMPT FROM IMPORT DUTIES AND TARIFFS; NO EXTRA CHARGES APPLY. LeatherBound edition. Condition: New. Reprinted from 1975 edition. Leather Binding on Spine and Corners with Golden leaf printing on spine. Bound in genuine leather with Satin ribbon page markers and Spine with raised gilt bands. A perfect gift for your loved ones. Pages: 530 NO changes have been made to the original text. This is NOT a retyped or an ocr'd reprint. Illustrations, Index, if any, are included in black and white. Each page is checked manually before printing. As this print on demand book is reprinted from a very old book, there could be some missing or flawed pages, but we always try to make the book as complete as possible. Fold-outs, if any, are not part of the book. If the original book was published in multiple volumes then this reprint is of only one volume, not the whole set. Sewing binding for longer life, where the book block is actually sewn (smythe sewn/section sewn) with thread before binding which results in a more durable type of binding. Pages: 530.
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Published by Alphascript Publishing Dez 2009, 2009
ISBN 10: 6130241402 ISBN 13: 9786130241407
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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -High Quality Content by WIKIPEDIA articles! Electronegativity, symbol , is a chemical property that describes the ability of an atom (or, more rarely, a functional group) to attract electrons (or electron density) towards itself in a covalent bond. An atom's electronegativity is affected by both its atomic weight and the distance that its valence electrons reside from the charged nucleus. The higher the associated electronegativity number, the more an element or compound attracts electrons towards it. First proposed by Linus Pauling in 1932 as a development of valence bond theory, it has been shown to correlate with a number of other chemical properties. Electronegativity cannot be directly measured and must be calculated from other atomic or molecular properties. Several methods of calculation have been proposed and, although there may be small differences in the numerical values of the electronegativity, all methods show the same periodic trends between elements. The most commonly used method of calculation is that originally proposed by Pauling. This gives a dimensionless quantity, commonly referred to as the Pauling scale, on a relative scale running from 0.7 to 4.0 (hydrogen = 2.2). Englisch.