Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin | |
Zhou, DH; Wu, Y; Xu, QM; Yang, LJ; Bai, CL; Tan, ZY | |
刊名 | JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
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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 |
出版者 | SPRINGER |
WOS记录号 | WOS:000086963700023 |
内容类型 | 期刊论文 |
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. |
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