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科研机构
北京大学 [57]
内容类型
期刊论文 [56]
其他 [1]
发表日期
2017 [5]
2016 [7]
2015 [10]
2014 [6]
2013 [3]
2012 [5]
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专题:北京大学
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Oxime-Based and Catalyst-Free Dynamic Covalent Polyurethanes
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017
Liu, Wen-Xing
;
Zhang, Chi
;
Zhang, Huan
;
Zhao, Ning
;
Yu, Zhi-Xiang
;
Xu, Jian
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
CROSS-LINKED POLYMERS
BLOCKED ISOCYANATES
PHENYL ISOCYANATE
CLICK CHEMISTRY
NETWORKS
BONDS
TEMPERATURE
MECHANISM
SYSTEMS
PERFORMANCE
Theoretical Investigation of Ta2O5, TaON, and Ta3N5: Electronic Band Structures and Absolute Band Edges
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Cui, Zhi-Hao
;
Jiang, Hong
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
VISIBLE-LIGHT IRRADIATION
DENSITY-FUNCTIONAL THEORY
BODY PERTURBATION-THEORY
TANTALUM OXYNITRIDE
(OXY)NITRIDE PHOTOCATALYSTS
DERIVATIVE DISCONTINUITIES
NEUTRON-DIFFRACTION
ENERGY CALCULATIONS
OPTICAL-PROPERTIES
CRYSTAL-STRUCTURE
Dehydrogenation of Formic Acid Catalyzed by a Ruthenium Complex with an N,N '-Diimine Ligand
期刊论文
INORGANIC CHEMISTRY, 2017
Guan, Chao
;
Zhang, Dan-Dan
;
Pan, Yupeng
;
Iguchi, Masayuki
;
Ajitha, Manjaly J.
;
Hu, Jinsong
;
Li, Huaifeng
;
Yao, Changguang
;
Huang, Mei-Hui
;
Ming, Shixiong
;
Zheng, Junrong
;
Himeda, Yuichiro
;
Kawanami, Hajime
;
Huang, Kuo-Wei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
CONTINUOUS HYDROGEN GENERATION
CARBON-DIOXIDE
IR COMPLEXES
REVERSIBLE HYDROGENATION
NONCOVALENT INTERACTIONS
DENSITY FUNCTIONALS
TRANSITION-ELEMENTS
MILD TEMPERATURES
STORAGE MATERIAL
AQUEOUS-SOLUTION
局域屏蔽库伦修正方法及其对EuX(X=O,S,Se,Te)的应用
期刊论文
中国稀土学报, 2017
王越超
;
蒋鸿
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
密度泛函理论
屏蔽库伦作用
强关联体系
局域屏蔽库仑修正
density functional theory
screened Coulomb interaction
strongly correlated materials
local screened Coulomb correction approach
Density Functional Theory Study of the Reaction between d(0) Tungsten Alkylidyne Complexes and H2O: Addition versus Hydrolysis
期刊论文
INORGANIC CHEMISTRY, 2017
Chen, Ping
;
Zhang, Linxing
;
Xue, Zi-Ling
;
Wu, Yun-Dong
;
Zhang, Xinhao
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
INTRAMOLECULAR PROTON-TRANSFER
SITE HETEROGENEOUS CATALYSTS
OLEFIN METATHESIS CATALYSTS
ATOMIC LAYER DEPOSITION
OXO PRECATALYSTS IMPACT
GAUSSIAN-BASIS SETS
X-RAY STRUCTURE
ALKYNE METATHESIS
MOLECULAR CALCULATIONS
CRYSTAL-STRUCTURES
Enantioselective Total Syntheses of Various Amphilectane and Serrulatane Diterpenoids via Cope Rearrangements
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016
Yu, Xuerong
;
Su, Fan
;
Liu, Chang
;
Yuan, Haosen
;
Zhao, Shan
;
Zhou, Zhiyao
;
Quan, Tianfei
;
Luo, Tuoping
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
WHIP PSEUDOPTEROGORGIA-ELISABETHAE
ENANTIOSPECIFIC TOTAL-SYNTHESIS
MARINE NATURAL-PRODUCTS
A-F AGLYCONE
SECO-PSEUDOPTEROSINS
GOLD(I)-CATALYZED CYCLIZATIONS
MYCOBACTERIUM-TUBERCULOSIS
ANTIMICROBIAL ACTIVITY
SEA
CATALYSIS
The local projection in the density functional theory plus U approach: A critical assessment
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Wang, Yue-Chao
;
Chen, Ze-Hua
;
Jiang, Hong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
STRONGLY CORRELATED SYSTEMS
NARROW ENERGY-BANDS
MEAN-FIELD THEORY
PLANE-WAVE BASIS
ELECTRONIC-STRUCTURE
LDA+U METHOD
SPECTRA
IMPLEMENTATION
INSULATORS
TRANSITION
Chirality recognition in concerted proton transfer process for prismatic water clusters
期刊论文
NANO RESEARCH, 2016
Wang, Bo
;
Jiang, Wanrun
;
Gao, Yang
;
Teo, Boon K.
;
Wang, Zhigang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
water cluster
chirality
proton transfer
circular dichroism spectrum
density functional theory calculation
METAL-ORGANIC FRAMEWORKS
VIBRATIONAL CIRCULAR-DICHROISM
DENSITY FUNCTIONALS
CYCLIC WATER
AB-INITIO
ELECTRON-DENSITY
BINDING-ENERGIES
HYDROGEN-BONDS
IONIZED WATER
(H2O)(N)
基于密度泛函理论研究锂-冠醚复合物的结构和热力学参数
期刊论文
物理化学学报, 2016
赵岩
;
敖银勇
;
陈建
;
宋宏涛
;
黄玮
;
彭静
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
锂
冠醚
密度泛函理论
分子结构
热力学参数
Lithium
Crown ether
Density functional theory
Molecular structure
Thermodynamic parameter
LITHIUM-ION BATTERIES
ISOTOPE-SEPARATION
BENZO-15-CROWN-5 ETHERS
CRYSTAL-STRUCTURE
BINDING
SELECTIVITY
12-CROWN-4
18-CROWN-6
EXTRACTION
DERIVATIVES
Cationic sulfonium functionalization renders Znsalens with high fluorescence, good water solubility and tunable cell-permeability
期刊论文
ORGANIC & BIOMOLECULAR CHEMISTRY, 2016
Tang, Juan
;
Xie, Da
;
Yin, Hao-Yan
;
Jing, Jing
;
Zhang, Jun-Long
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
EFFECTIVE CORE POTENTIALS
BASE ZINC(II) COMPLEXES
MOLECULAR CALCULATIONS
IMAGING APPLICATIONS
SALPHEN COMPLEXES
IONIC LIQUIDS
LIVE CELLS
IN-VIVO
PROBES
SINGLE
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