𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of metallasilatranes; Bonding nature and prediction of new metallasilatrane

✍ Scribed by Tsukamoto, Shinya; Sakaki, Shigeyoshi; Kawai, Daisuke


Book ID
115497297
Publisher
UOCHB
Year
2011
Tongue
English
Weight
524 KB
Volume
76
Category
Article
ISSN
0010-0765

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Theoretical prediction of ELNES/XANES an
✍ Teruyasu Mizoguchi; Isao Tanaka; Masahiro Kunisu; Masato Yoshiya; Hirohiko Adach πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 224 KB

The first principles calculations of ELNES/XANES of AlN polytypes were carried out by the first-principles OLCAO method using large supercells composed of more than 100 atoms. It can quantitatively reproduce the experimental spectra from wurtzite AlN using a 108-atoms supercell. ELNES from rock-salt