Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin
文献类型：期刊论文
| 作者 | Zhou, DH; Wu, Y; Xu, QM; Yang, LJ; Bai, CL; Tan, ZY |
| 刊名 | JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
 |
| 出版日期 | 2000-05-01 |
| 卷号 | 37期号:1-4页码:273-279 |
| 关键词 | Molecular Mechanics Calculation Inclusion Solvation Energy Alpha-cyclodextrin Trimethylbenzene |
| ISSN号 | 0923-0750 |
| 英文摘要 | Molecular mechanics calculations were employed to study the inclusion of triethylbenzene isomers in alpha-cyclodextrin and their solvation energy in aqueous solution. Trimethylbenzene penetrates partially into the cavity of alpha-cyclodextrin to form 1 : 1 or 2: 1 host-guest complexes. The interaction energy between host and guest is dominated by van der Waals energy. The inclusion complexes have higher solvation energies than free alpha-cyclodextrin. |
| 语种 | 英语 |
| WOS记录号 | WOS:000086963700023 |
| 出版者 | SPRINGER |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75965]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhou, DH |
| 作者单位 | 1.Liaoning Normal Univ, Dalian 116029, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, DH,Wu, Y,Xu, QM,et al. Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin[J]. JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY,2000,37(1-4):273-279. |
| APA | Zhou, DH,Wu, Y,Xu, QM,Yang, LJ,Bai, CL,&Tan, ZY.(2000).Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin.JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY,37(1-4),273-279. |
| MLA | Zhou, DH,et al."Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin".JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY 37.1-4(2000):273-279. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。