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安徽大学 [26]

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期刊论文 [26]

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限定条件	专题：安徽大学第一署名单位第一作者单位通讯作者单位

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	The effect of oxygen vacancies on the hyperfine properties of metal-doped SnO2. 期刊论文 Journal of Physics: D Applied Physics, 2017, 卷号: Vol.50 No.11, 页码: 1 作者: Villegas-Lelovsky,L.; Martins,J. B. L.; Nagamine,L. C. C. M.; Cohen,R.; Morais,P. C. 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/04/22 INITIO MOLECULAR-DYNAMICS AUGMENTED-WAVE METHOD AB-INITIO OPTICAL-PROPERTIES NANOPARTICLES PARAMETERS SURFACE DOPANT SIZE SEMICONDUCTORS
	Evolution of 4e-Superatom Networks in Au-4(AuL)(1-12) Nanoclusters (L = CI, SH, PH2, SCH3) 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: Vol.121 No.37, 页码: 20458-20467 作者: Cheng,Longjiu; Tian,Zhimei 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/04/22 THIOLATE-PROTECTED AU-38 HIGH-YIELD SYNTHESIS CRYSTAL-STRUCTURE GOLD NANOCLUSTERS THEORETICAL-ANALYSIS GENETIC-ALGORITHM AB-INITIO ELECTRONIC-PROPERTIES PHOSPHIDO COMPLEXES SUPERATOM COMPLEXES
	Mechanism of Nickel-Catalyzed Suzuki-Miyaura Coupling of Amides. 期刊论文 Chemistry – An Asian Journal, 2017, 卷号: Vol.12 No.14, 页码: 1765-1772 作者: Yu,Hai-Zhu; Xu,Zheng-Yang; Fu,Yao 收藏 \| 浏览/下载：9/0 \| 提交时间：2019/04/22 N BOND ACTIVATION ELECTRONIC POPULATION ANALYSIS AB-INITIO PSEUDOPOTENTIALS EFFECTIVE CORE POTENTIALS MOLECULAR WAVE FUNCTIONS PRIMARY ALLYLIC AMINES C-H ACTIVATION CARBON-NITROGEN TRANSITION-ELEMENTS GRIGNARD-REAGENTS
	Ab initio no-core properties of Li7 and Be7 with the JISP16 and chiral NNLOopt interactions 期刊论文 Physical Review C, 2017, 卷号: Vol.95 No.1, 页码: 014306 作者: Heng,Taihua; Maris,Pieter; Vary,James P. 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/04/22 CONFIGURATION-INTERACTION CALCULATIONS LIGHT-NUCLEI SHELL-MODEL NN INTERACTION SPECTROSCOPY EMERGENCE 3-BODY FORCES
	Mechanistic Investigation on Oxygen-Mediated Photoredox Diels-Alder Reactions with Chromium Catalysts 期刊论文 Organometallics, 2017, 卷号: Vol.36 No.3, 页码: 687-698 作者: Zhang,Liang; Yang,Yimeng; Yu,Haizhu; Dang,Zhimin; Liu,Qian 收藏 \| 浏览/下载：4/0 \| 提交时间：2019/04/22 DISTORTION-INTERACTION ANALYSIS OXIDATION-REDUCTION REACTIONS VISIBLE-LIGHT PHOTOCATALYSIS NATURAL-PRODUCT SYNTHESIS ELECTRON-TRANSFER RADICAL-CATION DENSITY FUNCTIONALS AB-INITIO STEPWISE MECHANISMS CHEMICAL-REACTIONS
	C-H center dot center dot center dot O Interaction in Methanol-Water Solution Revealed from Raman Spectroscopy and Theoretical Calculations 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 卷号: Vol.121 No.34, 页码: 8179-8187 作者: Wang,Yuxi; Fan,Wei; Zhou,Xiaoguo; Sun,Jin; Liu,Shilin 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/04/22 SHIFTING HYDROGEN-BONDS STRETCHING REGION HIGH-PRESSURE BLUE-SHIFT AB-INITIO INFRARED-SPECTROSCOPY SPECTRAL ASSIGNMENT AQUEOUS-SOLUTIONS N-PROPANOL IMPROPER
	Mechanistic Study on the Ruthenium-Catalyzed Terminal Alkyne Hydrochlorination 期刊论文 Organometallics, 2017, 卷号: Vol.36 No.3, 页码: 523-529 作者: Jiang,Ju-long; Wang,Bing; Fu,Yao; Yu,Hai-zhu 收藏 \| 浏览/下载：18/0 \| 提交时间：2019/04/22 HIGHLY STEREOSELECTIVE-SYNTHESIS AB-INITIO PSEUDOPOTENTIALS CROSS-COUPLING REACTIONS VINYL CHLORIDES TRANSITION-ELEMENTS HYDROGEN-CHLORIDE HYDROHALOGENATION REACTION VERSATILE CATALYSTS ROOM-TEMPERATURE SUZUKI-MIYAURA
	First principles study of crystal Si-doped Ge2Sb2Te5 期刊论文 Solid State Communications, 2017, 卷号: Vol.252, 页码: 6-10 作者: Yan, Beibei; Chang, Hong; Chen, Tian; Wang, Minglei; Dai, Yuehua 收藏 \| 浏览/下载：3/0 \| 提交时间：2019/04/22 PHASE-CHANGE AB-INITIO METASTABLE GE2SB2TE5 ELECTRON-DIFFRACTION
	Electronic and geometric structures of Au30 clusters: a network of 2e-superatom Au cores protected by tridentate protecting motifs with u3-S 期刊论文 Nanoscale, 2016, 卷号: Vol.8 No.2, 页码: 826-834 作者: Cheng,Longjiu 收藏 \| 浏览/下载：5/0 \| 提交时间：2019/04/22 INDEPENDENT CHEMICAL-SHIFTS THIOLATED GOLD CLUSTER CRYSTAL-STRUCTURE OPTICAL-PROPERTIES THEORETICAL-ANALYSIS AB-INITIO NANOCLUSTER AROMATICITY LIGAND NANOPARTICLES
	Mechanism of Ligand-Controlled Regioselectivity-Switchable Copper-Catalyzed Alkylboration of Alkenes. 期刊论文 Chemistry, 2016, 卷号: Vol.22 No.41, 页码: 14611-14617 作者: 收藏 \| 浏览/下载：16/0 \| 提交时间：2019/04/22 AB-INITIO PSEUDOPOTENTIALS EFFECTIVE CORE POTENTIALS PRIMARY ALKYL-HALIDES TRANSITION-ELEMENTS ARYL HALIDES STEREOSELECTIVE-SYNTHESIS MOLECULAR CALCULATIONS ORGANOBORON COMPOUNDS BORYLATION REACTIONS DENSITY FUNCTIONALS

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