Cargando…
The DV-Xα Molecular-Orbital Calculation Method
This multi-author contributed volume contains chapters featuring the development of the DV-Xα 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 Ko...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor Corporativo: | |
| Otros Autores: | , , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cham :
Springer International Publishing : Imprint: Springer,
2015.
|
| Edición: | 1st ed. 2015. |
| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
| LEADER | 00000nam a22000005i 4500 | ||
|---|---|---|---|
| 001 | 978-3-319-11185-8 | ||
| 003 | DE-He213 | ||
| 005 | 20220117131552.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 141106s2015 sz | s |||| 0|eng d | ||
| 020 | |a 9783319111858 |9 978-3-319-11185-8 | ||
| 024 | 7 | |a 10.1007/978-3-319-11185-8 |2 doi | |
| 050 | 4 | |a QD450-801 | |
| 072 | 7 | |a PNRP |2 bicssc | |
| 072 | 7 | |a SCI013050 |2 bisacsh | |
| 072 | 7 | |a PNRP |2 thema | |
| 082 | 0 | 4 | |a 541.2 |2 23 |
| 245 | 1 | 4 | |a The DV-Xα Molecular-Orbital Calculation Method |h [electronic resource] / |c edited by Tomohiko Ishii, Hisanobu Wakita, Kazuyoshi Ogasawara, Yang-Soo Kim. |
| 250 | |a 1st ed. 2015. | ||
| 264 | 1 | |a Cham : |b Springer International Publishing : |b Imprint: Springer, |c 2015. | |
| 300 | |a X, 361 p. 205 illus., 59 illus. in color. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a text file |b PDF |2 rda | ||
| 505 | 0 | |a 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. . | |
| 520 | |a This multi-author contributed volume contains chapters featuring the development of the DV-Xα 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-Xα Societies. This book is aimed at individuals working in Quantum Chemistry. | ||
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Spectrum analysis. | |
| 650 | 0 | |a Metals. | |
| 650 | 1 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Spectroscopy. |
| 650 | 2 | 4 | |a Metals and Alloys. |
| 700 | 1 | |a Ishii, Tomohiko. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Wakita, Hisanobu. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Ogasawara, Kazuyoshi. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Kim, Yang-Soo. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9783319111865 |
| 776 | 0 | 8 | |i Printed edition: |z 9783319111841 |
| 776 | 0 | 8 | |i Printed edition: |z 9783319364377 |
| 856 | 4 | 0 | |u https://doi.uam.elogim.com/10.1007/978-3-319-11185-8 |z Texto Completo |
| 912 | |a ZDB-2-CMS | ||
| 912 | |a ZDB-2-SXC | ||
| 950 | |a Chemistry and Materials Science (SpringerNature-11644) | ||
| 950 | |a Chemistry and Material Science (R0) (SpringerNature-43709) | ||