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	Absolute Configuration of Highly Flexible Natural Products by the Solid-State ECD/TDDFT Method: Ximaolides and Sinulaparvalides 期刊论文 OAI收割 EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2012, 期号: 34, 页码: 6722-6728 作者: Kurtan, Tibor; Jia, Rui; Li, Yan; Pescitelli, Gennaro; Guo, Yue-Wei \| 收藏 \| 浏览/下载：17/0 \| 提交时间：2019/01/08 Conformation analysis Conformational flexibility Chiroptical properties Density functional calculations Circular dichroism Natural products Terpenoids Macrocycles
	Microstructures and Interaction Analyses of Phosphonium-Based Ionic Liquids: A Simulation Study 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 卷号: 116, 期号: 16, 页码: 4934-4942 作者: Liu, Xiaomin; Zhao, Yuling; Zhang, Xiaochun; Zhou, Guohui; Zhang, Suojiang 收藏 \| 浏览/下载：23/0 \| 提交时间：2013/10/21 MOLECULAR-FORCE FIELD TEMPERATURE MOLTEN-SALTS DYNAMICS SIMULATION TRANSPORT-PROPERTIES CONFORMATIONAL ENERGIES RESP METHODOLOGY IMIDAZOLIUM CHLORIDE CATIONS ANIONS
	Co-crystallization of Resorcin 4 arene Tetracarboxylic Acid with Triethylamine: Synthesis and Crystal Structure 期刊论文 OAI收割 Chinese Journal of Structural Chemistry, 2010, 卷号: 29, 期号: 1, 页码: 114-120 Q. Z. Zou, J. S. Chen, R. B. Fu, S. M. Hu, T. L. Sheng, X. Wang, C. J. Shen, D. B. Chen and X. T. Wu 收藏 \| 浏览/下载：14/0 \| 提交时间：2012/11/02 resorcinarenes crystal structure supramolecular chemistry carboxylic acid derivations conformational properties selective extraction resorcinarenes host calixarenes preconcentration macrocycles transport cavitand
	Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup 期刊论文 OAI收割 Journal of Colloid and Interface Science, 2009, 卷号: 329, 期号: 2, 页码: 410-415 作者: Yin J(尹俊); Zhao YP(赵亚溥); Zhao YP 收藏 \| 浏览/下载：887/80 \| 提交时间：2009/08/03 Hydration Hybrid Qm/Mm Simulation Oniom Dppc Polar Headgroup Hydrogen Bond Molecular-Dynamics Simulations Phospholipid Head Groups Ab-Initio Polar Head Conformational Properties Complexes Temperature Phosphate Bilayers Density