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Produktbild: The DV-Xα Molecular-Orbital Calculation Method
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The DV-Xα Molecular-Orbital Calculation Method

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Beschreibung

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

22.09.2016

Abbildungen

X, 361 p. 205 illus., 59 illus. in color.

Herausgeber

Tomohiko Ishii + weitere

Verlag

Springer

Seitenzahl

361

Maße (L/B/H)

23,5/15,5/1,9 cm

Gewicht

631 g

Auflage

Softcover reprint of the original 1st ed. 2015

Sprache

Englisch

ISBN

978-3-319-36437-7

Beschreibung

Portrait

Prof. Dr. Tomohiko ISHII is based at the Department of Advanced Materials Science Faculty of Engineering, Kagawa University, Japan. He has published 166 articles.Membership in Societies: The Physical Society of Japan The Chemical Society of Japan Japan Society of Coordination Chemistry The Society for Discrete Variational X Alpha

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

22.09.2016

Abbildungen

X, 361 p. 205 illus., 59 illus. in color.

Herausgeber

Verlag

Springer

Seitenzahl

361

Maße (L/B/H)

23,5/15,5/1,9 cm

Gewicht

631 g

Auflage

Softcover reprint of the original 1st ed. 2015

Sprache

Englisch

ISBN

978-3-319-36437-7

Herstelleradresse

Springer-Verlag GmbH
Tiergartenstr. 17
69121 Heidelberg
DE

Email: ProductSafety@springernature.com

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  • Produktbild: The DV-Xα Molecular-Orbital Calculation Method

  • The DV-Xa Molecular Orbital Calculation Method and Recent Development
    .-
    Algebraic Molecular Orbital Theory.- Analytical Expression of Molecular Integrals over Slater-Type Functions for Generating their Polynomial Expressions.- Atom-Atom Interaction Potential from the Gaussian Quadrature Method and Classical Molecular Dynamics.- Comparison of Contributions to Interatomic Interactions between Covalent and Ionic Bonds from Total Energy Calculations.- Total Energy Calculation by DV-Xa Method and Its Accuracy.- Energy Expression of the Chemical Bond between Atoms in Hydrides and Oxides and Its Application to Materials Design.- Comparative Study on Optical Properties of YPO
    4
    : Mn, Zr Phosphor by Experiment and Calculation.- Applications of DV-Xa Method for New Material Design in Dye-Sensitized Solar Cell.- Microscopic Approach to Water by Using the DV-Xa Method, and Some Innovative Applications.- Electronic Structure and Chemical Bonding of Li
    1.1
    Nb
    0.9
    O
    2-y
    as a Negative Electrode Material for Lithium Secondary Batteries.- Chemical Bonding, Point Defects and Positron Lifetimes in FeSi
    2
    from First-Principles Calculations.- Structural Analysis of Al
    2
    TiO
    5
    at Room Temperature and at 600 ºC by DV-Xa Approach (II).- Wavelength of Luminescence and Energy Level Structure of Binuclear Copper(I) Complex.