The DV-X¿ Molecular-Orbital Calculation Method
Herausgegeben:Ishii, Tomohiko; Wakita, Hisanobu; Ogasawara, Kazuyoshi; Kim, Yang-Soo
The DV-X¿ Molecular-Orbital Calculation Method
Herausgegeben:Ishii, Tomohiko; Wakita, Hisanobu; Ogasawara, Kazuyoshi; Kim, Yang-Soo
- Broschiertes Buch
- Merkliste
- Auf die Merkliste
- Bewerten Bewerten
- Teilen
- Produkt teilen
- Produkterinnerung
- Produkterinnerung
This multi-author contributed volume contains chapters featuring the development of the DV-X method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.
Andere Kunden interessierten sich auch für
- The DV-X¿ Molecular-Orbital Calculation Method77,99 €
- Linear Combination of Atomic Orbitals Molecular Orbital Method40,99 €
- Molecular orbital27,99 €
- G. H. WagniereIntroduction to Elementary Molecular Orbital Theory and to Semiempirical Methods41,99 €
- H. Kwartd-Orbitals in the Chemistry of Silicon, Phosphorus and Sulfur81,99 €
- Katerina ChryssouCalculation of uncertainty of the moisture content of paper samples31,99 €
- Robert FinnEquilibrium Capillary Surfaces97,99 €
-
-
-
This multi-author contributed volume contains chapters featuring the development of the DV-X method and its application to a variety of problems in Materials Science and Spectroscopy written by leaders of the respective fields. The volume contains a Foreword written by the Chairs of Japanese and Korea DV-X alpha Societies. This book is aimed at individuals working in Quantum Chemistry.
Produktdetails
- Produktdetails
- Verlag: Springer / Springer International Publishing / Springer, Berlin
- Artikelnr. des Verlages: 978-3-319-36437-7
- Softcover reprint of the original 1st ed. 2015
- Seitenzahl: 372
- Erscheinungstermin: 22. September 2016
- Englisch
- Abmessung: 235mm x 155mm x 19mm
- Gewicht: 631g
- ISBN-13: 9783319364377
- ISBN-10: 3319364375
- Artikelnr.: 45334900
- Herstellerkennzeichnung Die Herstellerinformationen sind derzeit nicht verfügbar.
- Verlag: Springer / Springer International Publishing / Springer, Berlin
- Artikelnr. des Verlages: 978-3-319-36437-7
- Softcover reprint of the original 1st ed. 2015
- Seitenzahl: 372
- Erscheinungstermin: 22. September 2016
- Englisch
- Abmessung: 235mm x 155mm x 19mm
- Gewicht: 631g
- ISBN-13: 9783319364377
- ISBN-10: 3319364375
- Artikelnr.: 45334900
- Herstellerkennzeichnung Die Herstellerinformationen sind derzeit nicht verfügbar.
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
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 YPO4: 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 Li1.1Nb0.9O2-y as a Negative Electrode Material for Lithium Secondary Batteries.- Chemical Bonding, Point Defects and Positron Lifetimes in FeSi2 from First-Principles Calculations.- Structural Analysis of Al2TiO5 at Room Temperature and at 600 ºC by DV-Xa Approach (II).- Wavelength of Luminescence and Energy Level Structure of Binuclear Copper(I) Complex.
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 YPO4: 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 Li1.1Nb0.9O2-y as a Negative Electrode Material for Lithium Secondary Batteries.- Chemical Bonding, Point Defects and Positron Lifetimes in FeSi2 from First-Principles Calculations.- Structural Analysis of Al2TiO5 at Room Temperature and at 600 ºC by DV-Xa Approach (II).- Wavelength of Luminescence and Energy Level Structure of Binuclear Copper(I) Complex.