كيمياء فيزيائية Advances in Quantum Chemistry, Volumes 54 and 55

الموضوع في 'قسم الكيمياء' بواسطة inmyheart, بتاريخ ‏فبراير 10, 2008.

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    Advances in Quantum Chemistry

    بسم الله الرحمن الرحيم

    Advances in Quantum Chemistry

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    Product Details
    • Hardcover: 300 pages​
    • Publisher: Academic Press; 1 edition (December 26, 2007)​
    • Language: English​
    • ISBN-10: 012373925X​
    • ISBN-13: 978-0123739254​
    Book Description
    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

    * Publishes articles, invited reviews and proceedings of major international conferences and workshops
    * Written by leading international researchers in quantum and theoretical chemistry
    * Highlights important interdisciplinary developments







     
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  3. inmyheart

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  5. inmyheart

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    Advances in Quantum Chemistry, Volume 49
    (Advances in Quantum Chemistry)

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    • Publisher: Academic Press ​
    • Number Of Pages: 340 ​
    • Publication Date: 2005-12-21 ​
    • ISBN-10 / ASIN: 0120348497 ​
    • ISBN-13 / EAN: 9780120348497 ​
    • Binding: Hardcover ​


    Product Description:

    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
    This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics that include an extended and in depth discussion on the calculation of analytical first derivatives of the energy in a similarity transformed equation of motion couples cluster method.

     
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    Advances in Quantum Chemistry, Volume 50: Response Theory and Molecular Properties
    (Advances in Quantum Chemistry)

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    • Publisher: Academic Press ​
    • Number Of Pages: 350 ​
    • Publication Date: 2005-12-16 ​
    • ISBN-10 / ASIN: 0120348500 ​
    • ISBN-13 / EAN: 9780120348503 ​
    • Binding: Hardcover ​


    Product Description:

    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.



     
  7. ابن العراق

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    Advances in Quantum Chemistry, Volume 51
    (Advances in Quantum Chemistry)

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    • Publisher: Academic Press ​
    • Number Of Pages: 332 ​
    • Publication Date: 2006-12-11 ​
    • ISBN-10 / ASIN: 0120348519 ​
    • ISBN-13 / EAN: 9780120348510 ​
    • Binding: Hardcover ​


    Product Description:

    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
    Advances in Quantum Chemistry, Volume 51 deals with various aspects of mathematical versus chemical applications. Some parts belong to established scientific domains, where technical progress has been crucial for the development of modern quantum chemistry as well as the quantification problem in spectral resonance analysis.
    The first chapter in the volume, concerns the calculation of molecular electronic structure to high accuracy, using a variety of one and two-body schemes in the coupled cluster family of methods.
    Chapter 2 is devoted to Angular Momentum Diagrams.
    In chapters 3 and 4, the autors portray Chemical Graph Theory (CGT).
    Advances quantum mechanical signal processing through the fast Padé transform (FPT) are covered in Chapter 5.
    The concluding chapter gives a mathematical view of molecular equilibria using a Density-Functional Theory (DFT) description.

    * Publishes articles, invited reviews and proceedings of major international conferences and workshops
    * Compiled by the leading international researchers in quantum and theoretical chemistry
    * Highlights the important, interdisciplinary developments

     
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    Advances in Quantum Chemistry, Volume 52: Theory of the Interaction of Radiation with Biomolecules
    (Advances in Quantum Chemistry)

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    • Publisher: Academic Press ​
    • Number Of Pages: 326 ​
    • Publication Date: 2006-12-11 ​
    • ISBN-10 / ASIN: 0120348527 ​
    • ISBN-13 / EAN: 9780120348527 ​
    • Binding: Hardcover ​


    Product Description:

    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

    * publishes articles, invited reviews and proceedings of major international conferences and workshops
    * written by leading international researchers in quantum and theoretical chemistry
    * highlights important interdisciplinary developments



     
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    Advances in Quantum Chemistry

    Volume 54

    For Industrial - Academic Cooperation


    By John R. Sabin, Erkki J. Brandas





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    • Publisher: Academic Press
      Number Of Pages: 408
      Publication Date: 2008-03-17
    • Binding: Hardcover
    Product Description
    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
    This volume concerns the proceedings of the 4th International Conference on the DV-Xá Method. The focus is on key issues of materials science, surfaces, boundaries, defects, metals,
    ceramics and organic materials and spectroscopy.
    The DV-Xá method is a Density Functional-like development, which has reached an unparalleled theoretical and practical sophistication in Japan and Korea.
    * publishes articles, invited reviews and proceedings of major international conferences and workshops
    * written by leading international researchers in quantum and theoretical chemistry
    * highlights important interdisciplinary developments

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    Advances in Quantum Chemistry


    Volume 55


    Applications of Theoretical Methods to Atmospheric

    By John R. Sabin, Erkki J. Brandas



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    Product Details
    Hardcover: 500 pages
    Language: English
    Publisher: Academic Press; 1 edition
    (May 8, 2008


    Product Description

    Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
    Theoretical methods have dramatically extended the reach and grasp of atmospheric scientists. This edition of Advances in Quantum Chemistry collects a broad range of articles that provide reports from the leading edge of this interaction. The chemical systems span the range from atoms to clusters to droplets. Electronic structure calculations are used to uncover the details of the breakdown and removal of emissions from the atmosphere and the simultaneous development of air pollution including ozone and particles. The anomalous enrichment of heavy isotopes in atmospheric ozone is discussed using RRKM theory, and a number of techniques are presented for calculating the effect of isotopic substitution on the absorption spectra of atmospheric molecules.

    * Publishes articles, invited reviews and proceedings of major international conferences and workshops
    * Written by leading international researchers in quantum and theoretical chemistry
    * Highlights important interdisciplinary developments


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  12. EBN EL NEAL

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