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上海应用物理研究所 [6]
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OAI收割 [15]
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期刊论文 [15]
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2023 [1]
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2019 [2]
2017 [2]
2014 [3]
2013 [1]
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Chemistry [1]
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Inverse Electron-Demanding Diels-Alder Reactions in the Chemical Synthesis of Prenylated Indole Alkaloids Containing a Bicycle[2.2.2]diazaoctane Moiety: A Theoretical Study
期刊论文
OAI收割
CHEMISTRY-AN ASIAN JOURNAL, 2023, 卷号: 18, 期号: 7
作者:
Xu,Wenqiang
;
Sun,Tian-Yu
;
Di,Yingtong
;
Hao,Xiaojiang
;
Wu,Yun-Dong
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收藏
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浏览/下载:8/0
  |  
提交时间:2024/07/10
alkaloids
chemical synthesis
inverse-electron demanding Diels-Alder reaction
reaction mechanisms
theoretical study
BIOMIMETIC TOTAL-SYNTHESIS
CORRELATED MOLECULAR CALCULATIONS
MARINE-DERIVED FUNGUS
GAUSSIAN-BASIS SETS
(-)-VERSICOLAMIDE B
ORBITAL METHODS
BREVIANAMIDE-A
STEPHACIDIN-A
MODEL
CONCISE
Complexation of Ln(3+) with Pyridine-2,6-dicarboxamide: Formation of the 1:2 Complexes in Solution and Gas Phase
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 19, 页码: 14486-14492
作者:
Chen, XT
;
Xiong, ZX
;
Gong, Y
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收藏
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浏览/下载:42/0
  |  
提交时间:2021/09/06
MOLECULAR-ORBITAL METHODS
CHARGED METAL-IONS
PHOTOPHYSICAL PROPERTIES
LANTHANIDE COMPLEXES
MASS-SPECTROMETRY
CRYSTAL-STRUCTURE
BASIS-SETS
COORDINATION
EXTRACTION
CHEMISTRY
Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 9, 页码: 5695—5702
作者:
Chen, XT
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收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/12/30
MOLECULAR-ORBITAL METHODS
URANYL-NITRATE
DIGLYCOLAMIDE COMPLEXES
SOLVENT-EXTRACTION
CHEMISTRY
URANIUM
LIGANDS
ION
AM
LANTHANUM(III)
Tetrapositive Hafnium-Diamide Complexes in the Gas Phase: Formation, Structure and Reaction
期刊论文
OAI收割
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, 2019, 卷号: 30, 期号: 12, 页码: 2623-2631
作者:
Chen, XT
;
Gong, Y
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收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/10/16
MOLECULAR-ORBITAL METHODS
MULTIPLY-CHARGED IONS
METAL TRICATIONS
BASIS-SETS
COORDINATION
CHEMISTRY
DISSOCIATION
STABILITY
ZIRCONIUM
ELEMENTS
Coordination Structure and Fragmentation Chemistry of the Tripositive Lanthanide-Thio-Diglycolamide Complexes
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 49, 页码: 9429-9434
作者:
Chen, XT
;
Li, QN
;
Gong, Y
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收藏
  |  
浏览/下载:23/0
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提交时间:2019/12/17
MOLECULAR-ORBITAL METHODS
BASIS-SETS
NITRATE COMPLEXATION
ACTINIDE SEPARATIONS
SOLVENT-EXTRACTION
METAL-ION
DISSOCIATION
ELEMENTS
LIGANDS
AM
AIM and NBO analyses on hydrogen bonds formation in sugar-based surfactants (alpha/beta-d-mannose and n-octyl-alpha/beta-d-mannopyranoside): a density functional theory study
期刊论文
OAI收割
LIQUID CRYSTALS, 2014, 卷号: 41, 期号: 6, 页码: 784-792
Kotena, ZM
;
Behjatmanesh-Ardakani, R
;
Hashim, R
收藏
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浏览/下载:253/0
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提交时间:2015/06/03
MOLECULAR-ORBITAL METHODS
B3LYP/6-311++G-ASTERISK-ASTERISK LEVEL
ELECTRON-DENSITY
DFT
GLUCOPYRANOSIDE
GLYCOSIDES
PROTEINS
CLUSTERS
BEHAVIOR
HARDNESS
Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2014, 卷号: 53, 期号: 14, 页码: 7340—7350
Su, J
;
Wang, ZM
;
Pan, DQ
;
Li, J
收藏
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浏览/下载:74/0
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提交时间:2015/03/13
LASER-INDUCED FLUORESCENCE
DENSITY-FUNCTIONAL THEORY
MOLECULAR-ORBITAL METHODS
ELECTRONIC-STRUCTURE
QUANTUM-CHEMISTRY
HYDRATION STRUCTURE
PERTURBATION-THEORY
SPECTROSCOPY TRLFS
URANYL COMPLEXES
CHARGE-TRANSFER
Enhancing the blue phosphorescence of iridium complexes with a dicyclometalated phosphite ligand via aza-substitution: a density functional theory investigation
期刊论文
OAI收割
journal of materials chemistry c, 2014, 卷号: 2, 期号: 39, 页码: 8364-8372
Godefroid, Gahungu
;
Liu Yuqi
;
Si Yanling
收藏
  |  
浏览/下载:33/0
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提交时间:2015/10/15
LIGHT-EMITTING DEVICES
MOLECULAR-ORBITAL METHODS
ANCILLARY LIGANDS
IR(III) COMPLEXES
ENERGY-TRANSFER
EFFICIENCY
ELECTROPHOSPHORESCENCE
APPROXIMATION
EMISSION
GEOMETRY
Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs
期刊论文
OAI收割
journal of materials chemistry c, 2013, 卷号: 1, 期号: 4, 页码: 808-821
Tan GP
;
Chen SM
;
Sun N
;
Li YH
;
Fortin D
;
Wong WY
;
Kwok HS
;
Ma DG
;
Wu HB
;
Wang LX
;
Harvey PD
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2014/04/18
LIGHT-EMITTING-DIODES
MOLECULAR-ORBITAL METHODS
COMPACT EFFECTIVE POTENTIALS
DENSITY-FUNCTIONAL THEORY
EXPONENT BASIS-SETS
GAUSSIAN-TYPE BASIS
IR-III COMPLEXES
3RD-ROW ATOMS
ELECTROLUMINESCENT DEVICES
PHOTOPHYSICAL PROPERTIES