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科研机构
北京大学 [12]
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期刊论文 [12]
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2017 [1]
2016 [1]
2015 [1]
2014 [1]
2006 [1]
2005 [2]
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专题:北京大学
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A family of one-dimensional lanthanide complexes bridged by two distinct carboxylate ligands with the Dy analogue displaying magnetic relaxation behaviour
期刊论文
DALTON TRANSACTIONS, 2017
Zhu, Wen-Hua
;
Xiong, Xia
;
Gao, Chen
;
Li, Shan
;
Zhang, Yan
;
Wang, Juan
;
Zhang, Chi
;
Powell, Annie K.
;
Gao, Song
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
SINGLE-MOLECULE MAGNETS
METAL-ORGANIC FRAMEWORKS
COORDINATION POLYMERS
ENERGY BARRIER
ION MAGNETS
LUMINESCENCE
SYMMETRY
3D
DYNAMICS
ANISOTROPY
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
Energy levels of a spin-orbit-coupled Bose-Einstein condensate in a double-well potential
期刊论文
laser physics, 2015
Wang, Wen-Yuan
;
Cao, Hui
;
Zhu, Shi-Liang
;
Liu, Jie
;
Fu, Li-Bin
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/11
energy levels
spin-orbit-coupled BEC
double-well potential
macro-symmetry
NEUTRAL ATOMS
Advances in relativistic molecular quantum mechanics
期刊论文
physics reports review section of physics letters, 2014
Liu, Wenjian
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/11/10
Quantum electrodynamics
Virtual pair effects
Electron self-energy
Electron vacuum polarization
Charge conjugation symmetry
Charge-conjugated contraction
No-pair approximation
Relativistic Hamiltonians
Quasi-four-component
Exact two-component
Relativistic wave functions
Relativistic coalescence conditions
Relativistic explicit correlations
Relativistic theory of nuclear magnetic resonance
Relativistic theory of nuclear spin-rotation
DENSITY-FUNCTIONAL THEORY
COMPLEX-COORDINATE ROTATION
CORRELATED WAVE-FUNCTIONS
MEAN-FIELD APPROXIMATION
ELECTRON-POSITRON FIELD
NMR CHEMICAL-SHIFTS
CLOSED-SHELL ATOMS
BASIS-SET
NONRELATIVISTIC METHODS
DIRAC-EQUATION
Magnetic exchange in polynuclear transition metal system: Ab initio CASPT2 and density functional theory study on triangular copper(II) complexes
期刊论文
journal of theoretical computational chemistry, 2006
Wei, Haiyan
;
Chen, Zhida
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/16
molecular magnetism
CASPT2
density functional theory
broken-symmetry approach
magnetic exchange
trinuclear copper(II) complex
GENERALIZED GRADIENT APPROXIMATION
CORRELATION-ENERGY
MAGNETOSTRUCTURAL CORRELATIONS
COUPLING-CONSTANTS
BEHAVIOR
DIMERS
SUSCEPTIBILITY
MOLECULES
SOLIDS
CU(II)
A density functional study on magnetic exchange interaction between Mn(II) ion and nitronyl nitroxide radical in trans- and cis-metal-radical complexes
期刊论文
中国科学b辑 化学英文版, 2005
Wei, HY
;
Wang, F
;
Chen, ZD
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/12
density functional theory
broken-symmetry approach
magnetic exchange
molecular magnetism
Mn(II)-NITR complex
ORBITAL INTERACTIONS
COUPLING-CONSTANTS
DIMER COMPLEXES
MANGANESE(II)
APPROXIMATION
BEHAVIOR
SPECTRA
CU(II)
ENERGY
Ab initio multireference configuration-interaction theoretical study on the low-lying spin states in binuclear transition-metal complex: Magnetic exchange of [(NH3)(5)Cr(mu-OH)Cr(NH3)(5)](5+) and [Cl3FeOFeCl3](2-)
期刊论文
journal of chemical physics, 2005
Wang, BW
;
Wei, HY
;
Wang, MW
;
Chen, ZD
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
DENSITY-FUNCTIONAL THEORY
GENERALIZED GRADIENT APPROXIMATION
EFFECTIVE CORE POTENTIALS
BROKEN-SYMMETRY APPROACH
PERTURBATION-THEORY
CORRELATION-ENERGY
MOLECULAR CALCULATIONS
POPULATION ANALYSIS
COUPLING-CONSTANTS
WAVE-FUNCTIONS
Useful parameter describing magnetic interactions in extended bis-bidentate bridged dimers
期刊论文
国际量子化学杂志, 2003
Hu, HQ
;
Chen, ZD
;
Liu, CB
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/12
magnetic coupling
magnetic orbital
overlap integral
broken symmetry approach
density functional theory
EXCHANGE COUPLING-CONSTANTS
TRANSITION-METAL COMPLEXES
BROKEN SYMMETRY APPROACH
SPIN-DENSITY
BINUCLEAR COMPLEXES
COPPER(II) DIMERS
APPROXIMATION
SYSTEMS
ENERGY
Theoretical study on the magnetic coupling mechanism in alkoxo-bridged Cu(II) dimers
期刊论文
journal of molecular structure theochem, 2002
Hu, HQ
;
Yang, XH
;
Chen, Z
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/11
magnetic coupling
overlap integral
electronegativity
broken symmetry approach
density functional theory
TRANSITION-METAL DIMERS
COMPLEXES
APPROXIMATION
FUNCTIONALS
SYSTEMS
ENERGY
Effect of the orbitals of the bridging group on magnetic coupling
期刊论文
国际量子化学杂志, 2002
Hu, HQ
;
Chen, ZD
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/11
magnetic coupling
overlap integral
density functional theory
broken symmetry approach
TRANSITION-METAL DIMERS
SYMMETRY APPROACH
COMPLEXES
APPROXIMATION
CONSTANTS
ENERGY
SYSTEM
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