中国科学院机构知识库网格系统: 检索

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	Inverse Electron-Demanding Diels-Alder Reactions in the Chemical Synthesis of Prenylated Indole Alkaloids Containing a Bicycle[2.2.2]diazaoctane Moiety: A Theoretical Study 期刊论文 OAI收割 CHEMISTRY-AN ASIAN JOURNAL, 2023, 卷号: 18, 期号: 7 作者: Xu,Wenqiang; Sun,Tian-Yu; Di,Yingtong; Hao,Xiaojiang; Wu,Yun-Dong \| 收藏 \| 浏览/下载：13/0 \| 提交时间：2024/07/10 alkaloids chemical synthesis inverse-electron demanding Diels-Alder reaction reaction mechanisms theoretical study BIOMIMETIC TOTAL-SYNTHESIS CORRELATED MOLECULAR CALCULATIONS MARINE-DERIVED FUNGUS GAUSSIAN-BASIS SETS (-)-VERSICOLAMIDE B ORBITAL METHODS BREVIANAMIDE-A STEPHACIDIN-A MODEL CONCISE
	Main Allelochemicals from the Rhizosphere Soil of Saussurea lappa (Decne.) Sch. Bip. and Their Effects on Plants’Antioxidase Systems 期刊论文 OAI收割 Molecules, 2018, 卷号: 23, 期号: 10, 页码: 2506 作者: Hui Jin（金辉）; Zhiqiang Yan（燕志强）; Yang XY(杨晓燕); Anxiang Su（宿安祥）; Qin B(秦波) \| 收藏 \| 浏览/下载：61/0 \| 提交时间：2018/11/30 Costus Allelochemicals Chemical Basis Antioxidase System Replant Problems
	Modeling organic aerosols over east China using a volatility basis-set approach with aging mechanism in a regional air quality model 期刊论文 OAI收割 ATMOSPHERIC ENVIRONMENT, 2016, 卷号: 124, 期号: 2016, 页码: 186-198 作者: Xie, Zuxin; Han, Zhiwei; Tao, Jun; Zhang, Renjian; Wang, Gehui \| 收藏 \| 浏览/下载：26/0 \| 提交时间：2018/10/29 Secondary Organic Aerosol Volatility Basis-set Chemical Aging Air Quality Model East China
	Feeling Nature's PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS) 期刊论文 OAI收割 JOURNAL OF NATURAL PRODUCTS, 2016, 卷号: 79, 期号: 3, 页码: 616-628 Baell, JB 收藏 \| 浏览/下载：60/0 \| 提交时间：2017/01/12 POTASSIUM CHANNEL KV1.3 CLINICAL-TRIALS CRYSTAL-STRUCTURE TOXICOLOGICAL EVALUATION CHEMICAL-PROPERTIES REACTIVE COMPOUNDS MOLECULAR-BASIS VITAMIN-K DISCOVERY INHIBITORS
	Periodicity and Covalency of [MX2](-) (M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes 期刊论文 OAI收割 EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2016, 期号: 9, 页码: 1395—1404 作者: Xu, CQ; Xiong, XG; Li, WL; Li, J 收藏 \| 浏览/下载：29/0 \| 提交时间：2016/09/12 TRANSITION-METAL-COMPLEXES NATURAL RESONANCE THEORY ELECTRONIC-STRUCTURE BASIS-SETS POPULATION ANALYSIS GOLD NANOPARTICLES SUPERHEAVY ELEMENT ORGANIC-REACTIONS CHEMICAL VALENCE OXIDATION-STATES
	Theoretical insights on the influence of doped Ni in the early stage of graphene growth duringthe CH4 dissociation on Ni-Cu(111) surface 期刊论文 OAI收割 applied catalysis a-general, 2015, 卷号: 506, 期号: 45, 页码: 1-7 作者: He,Feng; Li,Kai; Xie,Guangyou; Wang,Ying; Jiao,Menggai 收藏 \| 浏览/下载：27/0 \| 提交时间：2016/05/20 CHEMICAL-VAPOR-DEPOSITION MOLECULAR-DYNAMICS SIMULATION DENSITY-FUNCTIONAL THEORY TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD BILAYER GRAPHENE LARGE-AREA HIGH-QUALITY ALLOY FOILS BASIS-SET
	Chirality-Dependent Reactivity of Individual Single-Walled Carbon Nanotubes 期刊论文 OAI收割 Small, 2013, 卷号: 9, 期号: 8, 页码: 1379-1386 B. L. Liu; H. Jiang; A. V. Krasheninnikov; A. G. Nasibulin; W. C. Ren; C. Liu; E. I. Kauppinen; H. M. Cheng 收藏 \| 浏览/下载：94/0 \| 提交时间：2013/12/24 carbon nanotubes electron diffraction chirality chemical reactivity first-principles calculations total-energy calculations wave basis-set electronic-structure raman-spectroscopy growth graphene catalyst purification separation efficiency
	Nucleation of Graphene Precursors on Transition Metal Surfaces: Insights from Theoretical Simulations 期刊论文 OAI收割 journal of physical chemistry c, 2013, 卷号: 117, 期号: 28, 页码: 14858-14864 Page AJ; Wang Y; Li HB; Irle S; Morokuma K 收藏 \| 浏览/下载：28/0 \| 提交时间：2014/04/15 CHEMICAL-VAPOR-DEPOSITION MOLECULAR-DYNAMICS SIMULATION CARBON NANOTUBE NUCLEATION TOTAL-ENERGY CALCULATIONS SINGLE-LAYER GRAPHENE WAVE BASIS-SET GROWTH 1ST-PRINCIPLES NI(111) NI