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科研机构
北京大学 [157]
内容类型
期刊论文 [157]
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2017 [4]
2016 [17]
2015 [11]
2014 [13]
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2012 [7]
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内容类型:期刊论文
专题:北京大学
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A Six-Coordinate Dysprosium Single-Ion Magnet with TrigonalPrismatic Geometry
期刊论文
INORGANIC CHEMISTRY, 2017
Liu, Shan-Shan
;
Meng, Yin-Shan
;
Zhang, Yi-Quan
;
Meng, Zhao-Sha
;
Lang, Ke
;
Zhu, Zhen-Liang
;
Shang, Chang-Fang
;
Wang, Bing-Wu
;
Gao, Song
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2017/12/03
MOLECULE MAGNETS
URANIUM(III) COMPLEXES
LANTHANIDE COMPLEXES
ANISOTROPY BARRIER
RELAXATION
CHEMISTRY
Emergence of Solvent-Separated Na+-Cl- Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017
Hou, Gao-Lei
;
Liu, Cheng-Wen
;
Li, Ren-Zhong
;
Xu, Hong-Guang
;
Gao, Yi Qin
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
AB-INITIO CALCULATIONS
MONTE-CARLO-SIMULATION
SODIUM-CHLORIDE
ALKALI-HALIDES
DISSOLVING MECHANISM
MOLECULAR-DYNAMICS
CHARGE SEPARATION
AQUEOUS-SOLUTIONS
INFRARED-SPECTRA
BASIS-SETS
Localization of open-shell molecular orbitals via least change from fragments to molecule
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Li, Hongyang
;
Liu, Wenjian
;
Suo, Bingbing
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
HARTREE-FOCK ORBITALS
ELECTRONIC-STRUCTURE CALCULATIONS
CONSISTENT-FIELD METHOD
BASIS-SETS
AB-INITIO
QUANTUM-MECHANICS
WANNIER FUNCTIONS
ELONGATION METHOD
EFFICIENT METHOD
PROGRAM PACKAGE
Initial hydration processes of magnesium chloride: size-selected anion photoelectron spectroscopy and ab initio calculations
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017
Feng, Gang
;
Liu, Cheng-Wen
;
Zeng, Zhen
;
Hou, Gao-Lei
;
Xu, Hong-Guang
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
CONTACT ION-PAIRS
DENSITY-FUNCTIONAL THEORY
SYNTHETIC SEA-SALT
WATER CLUSTERS
GAS-PHASE
SODIUM-CHLORIDE
CATIONS MG+(H2O)(N)
LIQUID WATER
METAL-IONS
CHEMISTRY
Initial hydration behavior of sodium iodide dimer: photoelectron spectroscopy and ab initio calculations
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016
Li, Ren-Zhong
;
Hou, Gao-Lei
;
Liu, Cheng-Wen
;
Xu, Hong-Guang
;
Zhao, Xiang
;
Gao, Yi Qin
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
WATER CLUSTERS
ION-PAIRS
PHOTODISSOCIATION DYNAMICS
DISSOLVING MECHANISM
MOLECULAR-STRUCTURE
SALT-SOLUTIONS
BASIS-SET
NAI
NACL
ASSOCIATION
Theoretical Studies on Structures, Properties and Dominant Debromination Pathways for Selected Polybrominated Diphenyl Ethers
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2016
Li, Lingyun
;
Hu, Jiwei
;
Shi, Xuedan
;
Ruan, Wenqian
;
Luo, Jin
;
Wei, Xionghui
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
relativistic effects
debromination
pseudo-potentials
transition state
adiabatic electron affinity
vertical electron affinity
DENSITY-FUNCTIONAL THEORY
REDUCTIVE DECHLORINATION
ELECTRON-AFFINITIES
TRANSITION-STATES
AB-INITIO
NANOPARTICLES
DEGRADATION
REACTIVITY
KINETICS
DIOXINS
A distinct magnetic anisotropy enhancement in mononuclear dysprosium-sulfur complexes by controlling the Dy-ligand bond length
期刊论文
DALTON TRANSACTIONS, 2016
Liu, Shan-Shan
;
Lang, Ke
;
Zhang, Yi-Quan
;
Yang, Qian
;
Wang, Bing-Wu
;
Gao, Song
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
SINGLE-MOLECULE-MAGNET
ION MAGNET
LANTHANIDE COMPLEXES
ENERGY BARRIER
CHEMISTRY
BLOCKING
BEHAVIOR
SYMMETRY
DESIGN
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)
Can Non-Kramers Tm-III Mononuclear Molecules be Single-Molecule Magnets (SMMs)?
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2016
Meng, Yin-Shan
;
Qiao, Yu-Sen
;
Zhang, Yi-Quan
;
Jiang, Shang-Da
;
Meng, Zhao-Sha
;
Wang, Bing-Wu
;
Wang, Zhe-Ming
;
Gao, Song
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
magnetic anisotropy
single-molecule magnets
organometallics
single-crystal angular resolved magnetometry
ION MAGNETS
URANIUM(III) COMPLEX
ANISOTROPY BARRIER
RELAXATION
SYMMETRY
MAGNETIZATION
BLOCKING
BEHAVIOR
SERIES
LEVEL
Hydration of potassium iodide dimer studied by photoelectron spectroscopy and ab initio calculations
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Li, Ren-Zhong
;
Zeng, Zhen
;
Hou, Gao-Lei
;
Xu, Hong-Guang
;
Zhao, Xiang
;
Gao, Yi Qin
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
ALKALI-METAL IONS
X-RAY-DIFFRACTION
HOFMEISTER SERIES
GAS-PHASE
BIOLOGICAL STRUCTURE
RAMAN-SPECTROSCOPY
AQUEOUS POTASSIUM
MP2 ENERGY
WATER
NA
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