Can we rationalize the structure of small silicon-carbon clusters?
✍ Scribed by M. Bertolus; V. Brenner; P. Millié
- Publisher
- Springer
- Year
- 1998
- Tongue
- English
- Weight
- 337 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1434-6060
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Recently, experimental evidence has been obtained for the existence of dianionic carbon clusters as small as C:-. So far, no theoretical evidence has been achieved for the electronic stability of C+-, which is attributed to the underlying assumption of C:-having a linear structure. Linear, quasi-lin
## Abstract We present a model potential for studying M^__q+__^(H~2~O)~__n=1,9__~ clusters where M stands for either Na^+^, Cs^+^, Ca^2+^, Ba^2+^, or La^3+^. The potential energy surfaces (PES) are explored by the Monte Carlo growth method. The results for the most significant equilibrium structure