Structural studies of fullerene-like Si(60) and Ge(60) cages using ab initio methods were augmented by density functional tight-binding molecular dynamics (DFTB-MD) simulations of finite temperature effects. Neither the perfect I(h) symmetry nor the distorted T(h) structures are true minima. The ene
β¦ LIBER β¦
95/00351 A comparative study of C60, Si60, and Ge60
- Publisher
- Elsevier Science
- Year
- 1995
- Weight
- 211 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0140-6701
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