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科研机构
金属研究所 [226]
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期刊论文 [226]
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2013 [2]
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Investigations of the electron paramagnetic resonance parameters and defect structures for Cu2+ ions in BeO crystal with trigonally distorted tetrahedral symmetry
期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2019, 卷号: 475, 页码: 234-239
作者:
Fang, Wang
;
Yang, Da-Xiao
;
Chen, Heng-Jie
;
Cheng, Wen-De
;
Zheng, Wen-Chen
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/02/02
Electron paramagnetic resonance (EPR)
BeO:Cu2+
Defect structure
Crystal - and ligand- field theory
Tunable thermal properties in yttrium silicates switched by anharmonicity of low-frequency phonons
期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2018, 卷号: 38, 期号: 4, 页码: 2043-2052
作者:
Luo, YX
;
Sun, LC
;
Wang, JM
;
Tian, ZL
;
Nian, HQ
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2018/06/05
Environmental Barrier Coatings
Molten-salt Corrosion
Functional Perturbation-theory
Silicon-nitride
Si3n4 Ceramics
Expansion
Conductivity
Y2sio5
Gamma-y2si2o7
Composites
The ground state and low-lying excited states of CCCN radical and its ions: a CASSCF/CASPT2 study
期刊论文
CANADIAN JOURNAL OF PHYSICS, 2016, 卷号: 94, 期号: 9, 页码: 803-807
Yu, AY
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  |  
浏览/下载:15/0
  |  
提交时间:2016/12/28
CCCN radical
ground state
low-lying excited states
complete active space self-consistent field
multi-configuration second-order perturbation theory
Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations
期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1475-1483
作者:
Yu Zhe
;
Ma Yuchi
;
Ai Jing
;
Chen Danqi
;
Zhao Dongmei
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/02/02
SULFUR-PI INTERACTIONS
PERTURBATION-THEORY
SUBSTITUENTS
SANDWICH
BENZENE
PATHWAY
receptor tyrosine kinase
type I c-Met inhibitor
cancer
quantum chemistry
protein-ligand interaction
symmetry-adapted perturbation theory (SAPT)
Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations
期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1475-1483
作者:
Yu Zhe
;
Ma Yuchi
;
Ai Jing
;
Chen Danqi
;
Zhao Dongmei
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/02/02
SULFUR-PI INTERACTIONS
PERTURBATION-THEORY
SUBSTITUENTS
SANDWICH
BENZENE
PATHWAY
receptor tyrosine kinase
type I c-Met inhibitor
cancer
quantum chemistry
protein-ligand interaction
symmetry-adapted perturbation theory (SAPT)
Calculations of EPR g factors for the isolated tetragonal Cu2+(II) centre in mechanically processed YBa2Cu3O7-delta superconductors
期刊论文
Physica Scripta, 2012, 卷号: 86, 期号: 2
W. C. Zheng
;
Y. Mei
;
Y. G. Yang
;
P. Su
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2013/02/05
electron-paramagnetic-resonance
spin-hamiltonian parameters
atomic
screening constants
temperature-dependence
crystal-field
single-crystals
gyromagnetic factor
scf functions
ions
yba2cu3o6+x
Studies of the spin-Hamiltonian parameters and defect structures for the trigonal Mo3+ centers in Y3Al5O12 and Lu3Al5O12 crystals
期刊论文
Radiation Effects and Defects in Solids-Incorporating Plasma Science and Plasma Technology, 2012, 卷号: 167, 期号: 9, 页码: 690-695
W. C. Zheng
;
Y. G. Yang
;
L. He
;
H. G. Liu
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/02/05
defect structure
electron paramagnetic resonance
crystal and ligand
fields
Mo3+
garnets
superposition model analysis
atomic screening constants
magnetic-resonance
scf functions
jahn-teller
ions
field
spectra
sites
cr3+
Research on the optical spectra, g factors and defect structures for two tetragonal Y2+ centers in the irradiated CaF2:Y crystal
期刊论文
Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2012, 卷号: 97, 页码: 648-651
W. C. Zheng
;
Y. Mei
;
Y. G. Yang
;
H. G. Liu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2013/02/05
Electron paramagnetic resonance
Crystal-field theory
Defect
structures
Optical spectroscopy
CaF2
Y2+
spin-hamiltonian parameters
atomic screening constants
theoretical
calculations
superposition model
laser applications
fluorite
crystals
srf2 crystals
scf functions
ions
distortions
Investigation of the EPR g factors and defect structure for the Cu2+-V-Na center in the X-irradiated NaCl: Cu+ crystal
期刊论文
Physica B-Condensed Matter, 2012, 卷号: 407, 期号: 4, 页码: 681-683
Y. Mei
;
W. C. Zheng
;
Y. G. Yang
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2013/02/05
Electron paramagnetic resonance (EPR)
Defect structure
Crystal- and
ligand-field theory
NaCl
Cu2+
spin-hamiltonian parameters
jahn-teller
single-crystals
cu2+
ions
resonance
spectrum
ligand
temperature
transitions
Investigations on the local structure and spin Hamiltonian parameters for the orthorhombic Cu2+ center in Ca(OD)(2)
期刊论文
Journal of Structural Chemistry, 2012, 卷号: 53, 期号: 2, 页码: 260-265
H. M. Zhang
;
S. Y. Wu
;
Z. H. Zhang
;
P. Xu
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2013/02/05
electron paramagnetic resonance
crystal- and ligand-field theory
Cu2+
Ca(OD)(2)
superposition model
ca(oh)2
epr
hyperfine
crystal
spectra
amorphization
phase
ions
so2
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