On the interconversion pathway of HBO <-> BOH
文献类型：期刊论文
| 作者 | Peng, Q; Wang, YB; Suo, B; Shi, QZ; Wen, ZY |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2004-07-08 |
| 卷号 | 121页码:778-782 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.1760746 |
| 英文摘要 | The potential energy surfaces have been constructed for the (1)A', (3)A', and (3)A" states of HBO by using the multireference perturbation theory with the basis set cc-pVTZ (6d,10f ). Two stationary points and a transition state have been characterized on all the three surfaces, which are in good agreement with available experiments and previous calculations. The interconversion pathways from metastable boron hydroxide BOH to the considerably more stable HBO are expounded based on the nature of the surfaces. (C) 2004 American Institute of Physics. |
| WOS关键词 | POTENTIAL-ENERGY SURFACES ; ELECTRONIC-STRUCTURE ; GROUND-STATE ; PERTURBATION-THEORY ; AB-INITIO ; HBO-BOH ; MOLECULES ; ISOMERIZATION ; SPECTROSCOPY ; HALO |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000222265600020 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://119.78.100.186/handle/113462/46897]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Wen, ZY |
| 作者单位 | 1.NW Univ Xian, Dept Chem, Xian 710069, Peoples R China 2.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Peng, Q,Wang, YB,Suo, B,et al. On the interconversion pathway of HBO <-> BOH[J]. JOURNAL OF CHEMICAL PHYSICS,2004,121:778-782. |
| APA | Peng, Q,Wang, YB,Suo, B,Shi, QZ,&Wen, ZY.(2004).On the interconversion pathway of HBO <-> BOH.JOURNAL OF CHEMICAL PHYSICS,121,778-782. |
| MLA | Peng, Q,et al."On the interconversion pathway of HBO <-> BOH".JOURNAL OF CHEMICAL PHYSICS 121(2004):778-782. |
入库方式： OAI收割
来源：近代物理研究所
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