Nota de FísicaPublicado
Structure and Dynamic Properties of Neutral and Ionized and
X.G. Gong
1996
Datos de la publicación
- Autores
- X.G. Gong
- Tipo
- Nota de Física
- Estado
- Publicado
- Fecha de publicación
- 1996
- Descripción
- The equilibrium structures and dynamical properties of neutral and ionized <math>SiH_5\,\!</math> and <math>Si_2 H _3\,\!</math> have been studied by using ''ab-initio'' molecular-dynamics method. The obtained equilibrium structures are in very good agreement with other highly precise methods. In <math>SiH_5^+\,\!</math> , we have clearly observed that <math>H_2\,\!</math> rotates about the <math>C_3\,\!</math> axis. In <math>Si_2H_3^+\,\!</math>, we have found that H atoms can interchange the positions frequently and also the structure changes. The different dynamical behavior for Si-H and C-H molecules has been addressed.
- Año
- 1996
- Número
- CBPF-NF-031/96
- Vínculo con tesis
- No
- Vínculo con beca
- No