Small Sin and Al, clusters (n = 3-10) were studied with the semiempirical molecular orbital method (MO) method SINDO1. For each n, various structures were optimized to determine the most stable structure. To obtain good qualitative agreement with available ab initio calculations d orbitals had to be
β¦ LIBER β¦
Structures and Properties of Silicon Oxide Clusters by Theoretical Investigations
β Scribed by R. Q. Zhang; W. J. Fan
- Publisher
- Springer
- Year
- 2006
- Tongue
- English
- Weight
- 658 KB
- Volume
- 17
- Category
- Article
- ISSN
- 1040-7278
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Structure and properties of small silico
β
Karl Jug; Hans-Peter Schluff; Hans Kupka; RΓΌdiger Iffert
π
Article
π
1988
π
John Wiley and Sons
π
English
β 554 KB
Investigated optical and elastic propert
β
Y. Al-Douri; N.M. Ahmed; N. Bouarissa; A. Bouhemadou
π
Article
π
2011
π
Elsevier Science
β 353 KB
Theoretical investigations of the struct
β
Mingyong Sun; John Adjaye; Alan E Nelson
π
Article
π
2004
π
Elsevier Science
π
English
β 449 KB
Theoretical Investigation of the Influen
β
Sudip Roy; Michael Springborg
π
Article
π
2005
π
John Wiley and Sons
β 8 KB
π 2 views
Structure and magnetic properties of Fe/
β
O. Crisan; K. von Haeften; A. M. Ellis; C. Binns
π
Article
π
2008
π
Springer Netherlands
π
English
β 439 KB
Theoretical study of siliconξΈsodium bina
β
Reiko Kishi; Atsushi Nakajima; Suehiro Iwata; Koji Kaya
π
Article
π
1994
π
Elsevier Science
π
English
β 387 KB
The geometries, ionization energies and adsorption energies of silicon-sodium binary clusters (SinNa, n = 1-7) were studied with ab initio MO calculations. All the calculations were carried out at the restricted Hartree-Fock level of approximation for both closed and open shell systems. The structur