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科研机构
北京大学 [13]
内容类型
期刊论文 [13]
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2016 [2]
2015 [2]
2014 [2]
2013 [2]
2010 [1]
2009 [1]
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专题:北京大学
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Computational Exploration of Rh-III/Rh-V and Rh-III/Rh-I Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016
Yang, Yun-Fang
;
Houk, K. N.
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
CONCERTED METALATION-DEPROTONATION
AB-INITIO PSEUDOPOTENTIALS
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
INTERNAL OXIDANT
BOND ACTIVATION
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
REDUCTIVE ELIMINATION
NITROGEN-SOURCE
1 lambda x 1.44 Tb/s free-space IM-DD transmission employing OAM multiplexing and PDM
期刊论文
OPTICS EXPRESS, 2016
Zhu, Yixiao
;
Zou, Kaiheng
;
Zheng, Zhennan
;
Zhang, Fan
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
ORBITAL-ANGULAR-MOMENTUM
ATMOSPHERIC-TURBULENCE
OPTICAL COMMUNICATION
SIGNAL TRANSMISSION
LINK
PERFORMANCE
CROSSTALK
CHANNELS
MODES
LIGHT
A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2015
Cheng, Gui-Juan
;
Chen, Ping
;
Sun, Tian-Yu
;
Zhang, Xinhao
;
Yu, Jin-Quan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2017/12/03
amino acids
asymmetric catalysis
C-H activation
density functional calculations
enantioselectivity
mass spectrometry
MOBILITY-MASS-SPECTROMETRY
CARBON-HYDROGEN BONDS
CATALYZED INTRAMOLECULAR ARYLATION
PROTON-ABSTRACTION MECHANISM
AB-INITIO PSEUDOPOTENTIALS
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
ALPHA-AMINO-ACIDS
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
Beam wander of random electromagnetic Gaussian-shell model vortex beams propagating through a Kolmogorov turbulence
期刊论文
optics communications, 2015
Wu, Guohua
;
Dai, Wen
;
Tang, Hua
;
Guo, Hong
收藏
  |  
浏览/下载:101/0
  |  
提交时间:2015/11/11
Beam wander
Atmospheric turbulence
Topological charge
Coherent length
Transverse scale
ORBITAL ANGULAR-MOMENTUM
ATMOSPHERIC-TURBULENCE
OPTICAL COMMUNICATION
SCINTILLATION
REDUCTION
POLARIZATION
PHASE
Direct measurement of the Raman enhancement factor of rhodamine 6G on graphene under resonant excitation
期刊论文
nano research, 2014
Deng, Shibin
;
Xu, Weigao
;
Wang, Jinying
;
Ling, Xi
;
Wu, Juanxia
;
Xie, Liming
;
Kong, Jing
;
Dresselhaus, Mildred S.
;
Zhang, Jin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
graphene
rhodamine 6G
Raman enhancement
polarization-difference resonance Raman spectroscopy
optical contrast spectroscopy
SCATTERING
SPECTROSCOPY
SURFACE
FLUORESCENCE
NANOPARTICLES
INTENSITY
MOLECULES
CONSTANTS
SUBSTRATE
DYES
Palladium-Catalyzed Meta-Selective C-H Bond Activation with a Nitrile-Containing Template: Computational Study on Mechanism and Origins of Selectivity
期刊论文
journal of the american chemical society, 2014
Yang, Yun-Fang
;
Cheng, Gui-Juan
;
Liu, Peng
;
Leow, Dasheng
;
Sun, Tian-Yu
;
Chen, Ping
;
Zhang, Xinhao
;
Yu, Jin-Quan
;
Wu, Yun-Dong
;
Houk, K. N.
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2015/11/11
INTRAMOLECULAR ALKANE ARYLATION
PROTON-ABSTRACTION MECHANISM
AB-INITIO PSEUDOPOTENTIALS
ELECTRON-DEFICIENT ARENES
MOLECULAR-ORBITAL METHODS
EFFECTIVE CORE POTENTIALS
REMOTE FUNCTIONALIZATION
DENSITY FUNCTIONALS
TRANSITION-ELEMENTS
POLARIZATION FUNCTIONS
Origin of the half-metallic properties of graphitic carbon nitride in bulk and confined forms
期刊论文
journal of materials chemistry c, 2013
Li, Yang
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
GRAPHENE NANORIBBONS
FERROMAGNETS
Dielectric constant of NiO and LDA plus U
期刊论文
physical review b, 2013
Ye, Lin-Hui
;
Luo, Ning
;
Peng, Lian-Mao
;
Weinert, M.
;
Freeman, A. J.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/13
DENSITY-FUNCTIONAL THEORY
GENERALIZED-GRADIENT-APPROXIMATION
EXCHANGE-CORRELATION POTENTIALS
ELECTRONIC-STRUCTURE
SYSTEMS
FIELD
POLARIZABILITIES
INSULATORS
ENERGIES
SURFACES
Spin transport properties of 3d transition metal(II) phthalocyanines in contact with single-walled carbon nanotube electrodes
期刊论文
physical chemistry chemical physics, 2010
Shen, Xin
;
Sun, Lili
;
Yi, Zelong
;
Benassi, Enrico
;
Zhang, Ruoxing
;
Shen, Ziyong
;
Sanvito, Stefano
;
Hou, Shimin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
MOLECULAR SPINTRONICS
GAS
CYCLOPENTADIENYL
MANGANESE(II)
DIFFRACTION
TRANSISTORS
CHEMISTRY
EXCHANGE
BENZENE
DEVICES
Specific F- binding to phenyl ring of aromatic polymers
期刊论文
氟化学杂志, 2009
Xu, Ling
;
Li, Xin
;
Yuan, Liyong
;
Zhai, Maolin
;
Peng, Jing
;
Li, Jiuqiang
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/11/10
Aromatic polymer
Gels
F- adsorption
Phase behavior
(Phenyl)CH center dot center dot center dot F-(H2O)(n)
HYDROGEN-BONDING HYDRATION
MOLECULAR-ORBITAL CALCULATIONS
POLY(4-VINYL PHENOL)
POLY(N-VINYL-2-PYRROLIDONE) GEL
ION-SPECIFICITY
BEHAVIORS
SOLVENT
LIQUID
SYSTEM
XPS
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