摘要
Ab initio calculations have been performed for neutral and cationic HOF structures at the MP2/6-31G**//MP2/3-21G and MP2/6-31G**//6-31G** levels. In addition to HOF, two energetically high-lying structures HFO and FHO were located on the neutral energy hypersurface. The energy differences between these three isomers greatly reduced in the case of the ions.
| 源语言 | 英语 |
|---|---|
| 页（从-至） | 659-662 |
| 页数 | 4 |
| 期刊 | Chemical Physics Letters |
| 卷 | 105 |
| 期 | 6 |
| DOI | |
| 出版状态 | 已出版 - 6 4月 1984 |
| 已对外发布 | 是 |