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Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 16, 页码: 11469-11480
作者:
Liu, Yang
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2020/12/16
DENSITY-FUNCTIONAL THEORY
COORDINATION CHEMISTRY
ELECTRIC-FIELD
ACTINIDE
LANTHANIDE
COMPLEXES
COVALENCY
AM(III)/EU(III)
EXTRACTION
HYDRATION
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
The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled Receptor
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 5, 页码: 2761-2770
作者:
Yuan, Xiaojing
;
Raniolo, Stefano
;
Limongelli, Vittorio
;
Xu, Yechun
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/01/08
Effect of ligand field symmetry on upconversion luminescence in heat-treated LaBGeO5:Yb3+, Er3+glass
期刊论文
Journal of the American Ceramic Society, 2018, 卷号: 101, 期号: 9, 页码: 4387-4396
作者:
Ali, Mohamed. A.
;
Ren, Jinjun
;
Liu, Xiaofeng
;
Qiu, Jianrong
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浏览/下载:36/0
  |  
提交时间:2018/12/28
Investigations of the optical and EPR spectral data for the trigonal Cr3+ center in ZnGa2O4: Cr3+ crystal with a unified method complete diagonalization of energy matrix
期刊论文
OPTIK, 2018, 卷号: Vol.174, 页码: 563-566
作者:
Mei, Yang
;
Liu, Wan-Hai
;
Zheng, Wen-Chen
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  |  
浏览/下载:61/0
  |  
提交时间:2019/02/25
Optical spectrum
Electron paramagnetic resonance
Crystal- and ligand-field theory
ZnGa2O4
Cr3+
Research of the spin-Hamiltonian parameters for the tetragonal Co tetrahedral centers in YAlO and YGaO crystals
期刊论文
Optik, 2018, 卷号: Vol.168, 页码: 61-64
作者:
Li, XW
;
Mei, Y
;
Liu, HG
;
Zheng, WC
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浏览/下载:3/0
  |  
提交时间:2019/02/25
Spin-Hamiltonian parameter
Crystal- and ligand-field theory
Co2+
Y3Al5O12
Y3Ga5O12
Preparing, Characterizing, and Investigating Luminescent Properties of a Series of Long-Lasting Phosphors in a SrO-Al2O3 System: An Integrated and Inquiry-Based Experiment in Solid State Chemistry for the Undergraduate Laboratory
期刊论文
JOURNAL OF CHEMICAL EDUCATION, 2017
Ma, Yan-Zi
;
Jia, Li
;
Ma, Kai-Guo
;
Wang, Hai-Hong
;
Jing, Xi-Ping
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
Second-Year Undergraduate
Inorganic Chemistry
Laboratory Instruction
Hands-On Learning/Manipulatives
Inquiry-Based/Discovery Learning
Crystal Field/Ligand Field Theory
Fluorescence Spectroscopy
Materials Science
Phases/Phase Transitions/Diagrams
Solid State Chemistry
DY3+ PHOSPHOR
MICROWAVE SYNTHESIS
EU2+
SRAL2O4EU2+
MECHANISM
镧改性吸附材料对水中砷氟去除机理研究
学位论文
博士, 北京: 中国科学院研究生院, 2016
作者:
史乾涛
收藏
  |  
浏览/下载:148/0
  |  
提交时间:2017/07/17
氟,砷,镧,光谱学,量子化学计算
fluoride, arsenic, lanthanum, spectroscopic, quantum chemistry
Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Park, Hahnbeom
;
Bradley, Philip
;
Greisen, Per, Jr.
;
Liu, Yuan
;
Mulligan, Vikram Khipple
;
Kim, David E.
;
Baker, David
;
DiMaio, Frank
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
FORCE-FIELD
SIDE-CHAIN
DYNAMICS SIMULATIONS
PROTEIN SIMULATIONS
POTENTIAL FUNCTIONS
LIQUID WATER
PREDICTION
MODEL
SOLVENT
SPECIFICITY
Hubbard interactions in iron-based pnictides and chalcogenides: Slater parametrization, screening channels, and frequency dependence
期刊论文
PHYSICAL REVIEW B, 2016
van Roekeghem, Ambroise
;
Vaugier, Loig
;
Jiang, Hong
;
Biermann, Silke
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  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
MEAN-FIELD THEORY
STRONGLY CORRELATED SYSTEMS
ELECTRONIC-STRUCTURE
PHOTOEMISSION-SPECTROSCOPY
SUPERCONDUCTIVITY
SPECTRA
LIFEAS
FESE
GAP
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