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	Exploring hydration mechanism of salt ions on the methane hydrate formation: Insights from experiments, QM calculations and MD simulations 期刊论文 OAI收割 CHEMICAL ENGINEERING SCIENCE, 2023, 卷号: 276, 页码: 12 作者: Yan, Ke-Feng; Zhao, Jian-Yu; Chen, Hao; Li, Xiao-Sen; Xu, Chun-Gang \| 收藏 \| 浏览/下载：0/0 \| 提交时间：2025/11/14 Methane hydrate Hydration of salt ions Raman spectrum Quantum mechanics calculation Molecular dynamics simulation
	Computational study on the interactions between the templates and MCM-22 zeolite 期刊论文 OAI收割 chinese journal of inorganic chemistry, 2004, 卷号: 20, 期号: 1, 页码: 41-47 作者: Zhou, DH; Yang, MM; Wang, Y; Yang, G; Liu, XC 收藏 \| 浏览/下载：25/0 \| 提交时间：2015/11/10 MCM-22 zeolite template host-guest non-bonding interactions Monte Carlo calculation molecular mechanics
	Molecular mechanics study of the inclusion of trimethylbenzene isomers in alpha-cyclodextrin 期刊论文 OAI收割 JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 2000, 卷号: 37, 期号: 1-4, 页码: 273-279 作者: \| 收藏 \| 浏览/下载：30/0 \| 提交时间：2019/04/09 Molecular Mechanics Calculation Inclusion Solvation Energy Alpha-cyclodextrin Trimethylbenzene
	X-ray crystal structure and molecular mechanics calculations of (2,6-iso-dipropyl-phenylamide) dimethyl (tetra-methylcyclopenta-dienyl) silane titanium dichloride 期刊论文 OAI收割 CHINESE CHEMICAL LETTERS, 2000, 卷号: 11, 期号: 5, 页码: 459-462 作者: Liu, TQ; Guo, DW; Lin, YH; Yang, XZ; Hu, YL \| 收藏 \| 浏览/下载：32/0 \| 提交时间：2019/04/09 Crystal Structure Constrained Geometry Catalyst Metallocene Molecular Mechanics Calculation
	NMR DETERMINATION OF SPATIAL STRUCTURE OF SMALL MOLECULES IN SOLUTION 期刊论文 OAI收割 ACTA PHYSICO-CHIMICA SINICA, 1992, 卷号: 8, 期号: 1, 页码: 39-44 作者: Wu Donghui; Shen Lianfang 收藏 \| 浏览/下载：36/0 \| 提交时间：2015/07/15 Three dimensional configuration NMR relaxation matrix analysis molecular mechanics calculation TRANILAST