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科研机构
安徽大学 [28]
内容类型
期刊论文 [28]
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2018 [1]
2017 [2]
2016 [6]
2015 [4]
2014 [1]
2012 [3]
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专题:安徽大学
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Mechanism and Origins of Chemo- and Regioselectivities of Pd-Catalyzed Intermolecular sigma-Bond Exchange between Benzocyclobutenones and Silacyclobutanes: A Computational Study
期刊论文
ORGANOMETALLICS, 2018, 卷号: Vol.37 No.4, 页码: 592-602
作者:
Li,Xin
;
Zhang,Shuo-Qing
;
Yu,Hai-Zhu
;
Chen,Pan-Pan
;
Liu,Ji-Ren
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/04/22
C-C BOND
CARBON-CARBON BOND
DENSITY-FUNCTIONAL THEORY
EFFECTIVE CORE POTENTIALS
RH-CATALYZED +1 CYCLOADDITION
INTRAMOLECULAR 5+2 CYCLOADDITIONS
QUATERNARY STEREOGENIC CENTERS
ACTIVATION STRAIN MODEL
ENE-VINYLCYCLOPROPANES
MOLECULAR CALCULATIONS
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
Self-accelerating Airy-Laguerre-Gaussian light bullets in a two-dimensional strongly nonlocal nonlinear medium
期刊论文
Optics Express, 2017, 卷号: Vol.25 No.24, 页码: 30468-30478
作者:
Wu,Zhenkun
;
Gu,Yuzong
;
Guo,Hao
;
Wang,Wei
;
Wang,Zhiping
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/04/22
WAVE-PACKETS
FREE-SPACE
INDUCED TRANSPARENCY
ATOMIC VAPOR
BEAMS
PROPAGATION
POTENTIALS
SOLITONS
From isosuperatoms to isosupermolecules: new concepts in cluster science.
期刊论文
Nanoscale, 2016, 卷号: Vol.8 No.25, 页码: 12787-12792
作者:
Li,Pai
;
Yuan,Lan-Feng
;
Liu,Liren
;
Cheng,Longjiu
;
Yang,Jinlong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/22
EFFECTIVE CORE POTENTIALS
KINETIC-ENERGY DENSITY
CRYSTAL-STRUCTURE
MOLECULAR CALCULATIONS
GOLD NANOCLUSTERS
METAL-CLUSTERS
JELLIUM MODEL
ELECTRONIC-STRUCTURE
SHELL STRUCTURES
BUILDING-BLOCKS
Combined Approach of Patch-Surfer and PL-PatchSurfer for Protein-Ligand Binding Prediction in CSAR 2013 and 2014
期刊论文
Journal of Chemical Information and Modeling, 2016, 卷号: Vol.56 No.6, 页码: 1088-1099
作者:
Shin,Woong-Hee
;
Zhu,Xiaolei
;
Kihara,Daisuke
;
Kim,Hyungrae
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/22
EMPIRICAL SCORING FUNCTIONS
BIOMOLECULAR SIMULATION
BENCHMARK EXERCISE
DOCKING
POTENTIALS
SIMILARITY
COMPLEXES
AFFINITY
VALIDATION
ACCURACY
Density functional theory investigations on the binding modes of amidoximes with uranyl ions
期刊论文
Dalton Transactions, 2016, 卷号: Vol.45 No.7, 页码: 3120-3129
作者:
Yang,Chuting
;
Ye,Lina
;
Pei,Shuqi
;
Hu,Sheng
;
Yu,Haizhu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/22
TRANSFER RADICAL POLYMERIZATION
EFFECTIVE CORE POTENTIALS
YL-OXYGEN EXCHANGE
AQUEOUS-SOLUTIONS
URANIUM IONS
ORGANIC-ACIDS
CLOTH FILTER
METAL-IONS
GAS-PHASE
ADSORPTION
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:
Yu,Hai-Zhu
;
Su,Wei
;
Xu,Zheng-Yang
;
Fu,Yao
;
Jiang,Yuan-Ye
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
Mechanism of Vanadium-Catalyzed Selective C-O and C-C Cleavage of Lignin Model Compound
期刊论文
ACS Catalysis, 2016, 卷号: Vol.6 No.7, 页码: 4399-4410
作者:
Zhang,Qi
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/04/22
ELECTRON-PARAMAGNETIC-RESONANCE
EFFECTIVE CORE POTENTIALS
AEROBIC OXIDATION
BOND-CLEAVAGE
ARYL ETHERS
MOLECULAR CALCULATIONS
REDUCTIVE CLEAVAGE
2-STATE REACTIVITY
ALCOHOLS EVIDENCE
CARBON-DIOXIDE
How does the adult attachment affect human’s recognition to love-related and sex-related stimuli: an ERP study
期刊论文
Frontiers in Psychology, 2016, 卷号: Vol.7
作者:
Ru eMa
;
Xiaoyi eFang
;
Jing eLan
;
Yamikani eNdasauka
;
Juan eHou
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/24
love
Sex
event-related
potentials
adult
attachment
emotion-motivation
system
SP3-Hybridization Feature of Ag4 Superatom in Superatomic Molecules
期刊论文
Chinese Journal of Chemical Physics, 2015, 卷号: Vol.28 No.4, 页码: 476
作者:
Yan,Li-juan
;
Yang,Jin-long
;
Cheng,Long-jiu
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/22
ELECTRONIC SHELL STRUCTURE
EFFECTIVE CORE POTENTIALS
COINAGE METAL-CLUSTERS
D-ORBITAL AROMATICITY
JELLIUM MODEL
GOLD
AU
CU
PARTICLES
STABILITY
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