Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin

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	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
	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.