The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi
β¦ LIBER β¦
A theoretical study of small tetracene clusters: Stability and charge stabilization energies
β Scribed by Andrzej Eilmes
- Book ID
- 116380067
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 294 KB
- Volume
- 982
- Category
- Article
- ISSN
- 2210-271X
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Structure and stability of small boron c
β
Ihsan Boustani
π
Article
π
1995
π
Elsevier Science
π
English
β 395 KB
A Theoretical Study on the Stability of
β
Li Ping Cheng; Jun Guan; Se Li; Qian Shu Li; Wen Guo Xu
π
Article
π
2003
π
John Wiley and Sons
β 4 KB
π 2 views
Theoretical study of the stability of sm
β
G. SΓ‘nchez-Sanz; S. DΓaz-Tendero; F. MartΓn; M. AlcamΓ
π
Article
π
2011
π
Elsevier Science
π
English
β 307 KB
A theoretical study of triatomic carbon-
β
P.W. Deutsch; L.A. Curtiss
π
Article
π
1994
π
Elsevier Science
π
English
β 387 KB
The Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of mixed triatomic clusters of carbon and silicon. The G2 energies are used to derive accurate binding energies which are compared with experimental values.
Theoretical Study of Structure and Stabi
β
Xiao-Juan Feng; You-Hua Luo; Xiao Liang; Li-Xia Zhao; Ting-Ting Cao
π
Article
π
2008
π
Springer
π
English
β 552 KB
Theoretical study of structure and stabi
β
K. Hirao; S. Yamabe
π
Article
π
1981
π
Elsevier Science
π
English
β 335 KB