中国科学院机构知识库网格系统: 检索

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	Theoretical study of iron acyl complexes modeling the active site of [Fe]-hydrogenase: Solvation effects play a significant role 期刊论文 OAI收割 computational and theoretical chemistry, 2015, 卷号: 1064, 页码: 45-50 作者: Li, Chaozheng; Fu, Zhiqiang; Zhang, Xiaoqian; Liu, Yufang 收藏 \| 浏览/下载：29/0 \| 提交时间：2015/11/17 Density functional theoretical calculation Solvation effects Iron Transition state Exothermic process
	The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme 期刊论文 OAI收割 theoretical chemistry accounts, 2014, 卷号: 133, 期号: 6 作者: Zhang, Xiaoqian; Liu, Yufang; Wang, Yong 收藏 \| 浏览/下载：31/0 \| 提交时间：2015/11/17 Cytochrome P450 enzyme Hydroxylation Density functional theoretical calculation Hydrogen bond Kinetic isotope effect
	Novel thiophene-substituted tetrathia[22]annulenes[2,1,2,1]: synthesis, physical properties, and improvement in field-effect behavior 期刊论文 OAI收割 TETRAHEDRON, 2014, 卷号: 70, 期号: 10, 页码: 1872-1879 作者: Liu, Hang; Qin, Yunke; Huang, Dazhen; Xu, Wei; Zhu, Daoben \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2019/04/09 Field-effect Transistors Single Crystal Density Functional Theoretical Calculation Tetrathia[22]Annulenes[2 1 2 1]
	Novel 2,7-substituted pyrene derivatives: syntheses, solid-state structures, and properties 期刊论文 OAI收割 TETRAHEDRON, 2011, 卷号: 67, 期号: 19, 页码: 3395-3405 作者: Qiao, Yali; Zhang, Jing; Xu, Wei; Zhu, Daoben \| 收藏 \| 浏览/下载：18/0 \| 提交时间：2019/04/09 Crystal Structures Density Functional Theoretical Calculation Field-effect Transistors 2 7-substituted Pyrene
	Electrochromism based on the charge transfer process in a ferrocene-BODIPY molecule 期刊论文 OAI收割 TETRAHEDRON, 2009, 卷号: 65, 期号: 40, 页码: 8373-8377 作者: Yin, Xiaodong; Li, Yongjun; Li, Yuliang; Zhu, Yulan; Tang, Xueling \| 收藏 \| 浏览/下载：68/0 \| 提交时间：2019/04/09 Electrochromism Organic Metallic Compound Density Functional Theoretical Calculation Charge Transfer