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Advances in quantum chemistry. Volume 54, DV-Xalpha for industrial-academic cooperation /
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 result...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
London, UK :
Elsevier/Academic Press,
2008.
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| Colección: | Advances in quantum chemistry ;
v. 54. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- ; ; Thermal Spectroscopy of Magnesium-Zinc Binary Compounds Near Absolute Zero Kelvin: Coefficient of the Electronic Contribution to Heat Capacity and Density of States in the Vicinity of the Fermi Level; Masao Morishita, Hiroaki Yamamoto and Yasutomo Matsumoto; ; ; First principles calculation of energy band structure of gallium arsenide crystals using Madelung potential; S. Kishino, K. Sueoka, and H.
- And Yoshinori Hayafuji; ; Particle Size and Surface Effects on Critical Thickness for Ferroelectricity of BaTiO3 by ab initio calculations; Keisuke Ishizumi, Hironori Kawanishi, Ryo Nakao, Isao Takahashi, Hikaru Terauchi, Kaoru Miura and Yoshinori Hayafuji; ; Quantum Mechanics and the Special- and General Theory of Relativity; Erkki J.
- B�rndas; ; ; ; Electronic Structures of ATiO3 Perovskite Oxides (A = Ba, Sr, and Pb): Comparative First-Principle Study; Hironori Kawanishi, Keisuke Ishizumi, Isao Takahashi, Hikaru Terauchi and Yoshinori Hayafuji; ; New Expression of the Chemical Bond in Hydrides Using Atomization Energies; Yoshifumi Shinzato, Hiroshi Yukawa, Masahiko Morinaga, Takeshi Baba and Hiromi Nakai; ; ; Electronic structure and bonding in amorphous Zr67Ni33 and Zr67Cu33; Kazuki Sugita, Masataka Mizuno, Hideki Araki and Yasuharu Shirai; ; Open Problems in Inner-Shell Spectrochemistry; Jun Kawai; ; Local electronic structures from analyzing and modelling high energy Auger and photoelectron spectra of solids; L.
- Underwood and Hisanobu Wakita; ; Ab initio calculation of the electronic structure of ZnO with an impurity from Li to Bi; Yusuke Kinoshita, Atsushi Nakamura, Takayuki Noguchi, Takeshi Inoue, Takumi Tomita, and Yoshinori Hayafuji; ; First-Principles Investigation of Dimethyl Ether Steam Reforming; Kimichika Fukushima