Quantum chemistry ab initio calculation of vibration spectrum of beta-elemene
文献类型：期刊论文
| 作者 | Hu, JH; Ye, JX; Cheng, GB; Long, XY |
| 刊名 | spectroscopy and spectral analysis
 |
| 出版日期 | 2001-04-01 |
| 卷号 | 21期号:2页码:163-168 |
| 关键词 | beta-elemene vibration spectroscopy fundamental frequency quantum chemistry ab initio calculation |
| 英文摘要 | in this study, ab initio calculation of vibration spectrum of beta -elemene has been performed at rhf/6-31g* level. comparsion with the experimental results,we succeed in assignment of normal modes of the fundamental frequency of the molecule. we have also discussed the characteristic vibrations, and scaled theoretical frequencies empirically. |
| WOS标题词 | science & technology ; technology |
| 类目[WOS] | spectroscopy |
| 研究领域[WOS] | spectroscopy |
| 关键词[WOS] | molecular geometries |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000168663400008 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/138912]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116011, Peoples R China 2.Guangxi Univ, Coll Chem & Chem Engn, Nanning 530004, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hu, JH,Ye, JX,Cheng, GB,et al. Quantum chemistry ab initio calculation of vibration spectrum of beta-elemene[J]. spectroscopy and spectral analysis,2001,21(2):163-168. |
| APA | Hu, JH,Ye, JX,Cheng, GB,&Long, XY.(2001).Quantum chemistry ab initio calculation of vibration spectrum of beta-elemene.spectroscopy and spectral analysis,21(2),163-168. |
| MLA | Hu, JH,et al."Quantum chemistry ab initio calculation of vibration spectrum of beta-elemene".spectroscopy and spectral analysis 21.2(2001):163-168. |
入库方式： OAI收割
来源：大连化学物理研究所
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