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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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高能物理研究所 [10]
西北高原生物研究所 [9]
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期刊论文 [62]
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Theoretical Insights into the Actinide-Silicon Bonding Nature and Stability of a Series of Actinide Complexes with Different Oxidation States
期刊论文
OAI收割
ORGANOMETALLICS, 2021, 卷号: 40, 期号: 11, 页码: 1719-1727
作者:
Li, Ai-Lin
;
Zhang, Nai-Xin
;
Wu, Qun-Yan
;
Wang, Cong-Zhi
;
Lan, Jian-Hui
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/12/01
METAL-METAL BONDS
DENSITY-FUNCTIONAL THEORY
ELECTRON LOCALIZATION
GROUP-14 ELEMENT
COVALENT RADII
CHEMICAL-BONDS
TH-PU
URANIUM
REACTIVITY
NITRIDE
Complexation of trivalent lanthanides and actinides with diethylenetriaminepentaacetic acid: Theoretical unraveling of bond covalency
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 299
作者:
Chen, Yan-Mei
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
ELECTRON-DENSITY
STRUCTURAL DETERMINATION
OPTICAL SPECTROSCOPY
METAL-COMPLEXES
BASIS-SETS
ENERGY
EXTRACTION
SEPARATION
9-COORDINATE
Electronic structures and bonding of the actinide halides An(TRENTIPS)X (An = Th-Pu; X = F-I): a theoretical perspective
期刊论文
OAI收割
DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 44, 页码: 15895-15902
作者:
Wu, Qun-Yan
;
Wang, Cong-Zhi
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
;
Shi, Wei-Qun
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2021/12/01
RAY-ABSORPTION SPECTROSCOPY
MULTIPLE BONDS
CORRELATION-ENERGY
BASIS-SETS
COMPLEXES
COVALENCY
CL
REACTIVITY
ELEMENTS
THERMOCHEMISTRY
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole
期刊论文
OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 27, 页码: 15106-15119
作者:
Zhu, Zhengdan
;
Wang, Guimin
;
Xu, Zhijian
;
Chen, Zhaoqiang
;
Wang, Jinan
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/07/01
Structure effect on transition mechanism of UV-visible absorption spectrum in polyimides: A density functional theory study
期刊论文
OAI收割
POLYMER, 2018, 卷号: 148, 页码: 356-369
作者:
Ma, YP
;
Hu, CC
;
Guo, HX
;
Fan, L
;
Yang, SY
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收藏
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浏览/下载:22/0
  |  
提交时间:2019/04/08
Transition mechanism
DFT and TDDFT
Transparent polyimide
Theoretical Exploration of Halogen Bonding Interactions in the Complexes of Novel Nitroxide Radical Probes and Comparison with Hydrogen Bonds
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 22, 页码: 5058-5068
作者:
Zhao, Chengxi
;
Lu, Yunxiang
;
Zhu, Zhengdan
;
Liu, Honglai
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收藏
  |  
浏览/下载:14/0
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提交时间:2019/01/08
Theoretical studies on the synergistic extraction of am3+ and eu3+ with cmpo-hdehp and cmpo-heh[ehp] systems
期刊论文
iSwitch采集
Dalton transactions, 2018, 卷号: 47, 期号: 15, 页码: 5474-5482
作者:
Huang, Pin-Wen
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Song, Gang
收藏
  |  
浏览/下载:50/0
  |  
提交时间:2019/04/23
Theoretical investigation of twisted charge-transfer-promoted intramolecular proton transfer in the excited state of 4 '-dimethylaminoflavonol in a highly polar solvent
期刊论文
OAI收割
JOURNAL OF LUMINESCENCE, 2018, 卷号: 194, 页码: 785-790
作者:
Wang, Yi
;
Fei, Xu
;
Tang, Zhe
;
Yang, Yunfan
;
Yang, Yi
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/06/20
Excited-state Intramolecular Proton Transfer
Hydrogen Bond
Twisted Intramolecular Charge Transfer
Reduced Density Gradient
Potential-energy Curve
Theoretical studies on the synergistic extraction of Am3+ and Eu3+ with CMPO-HDEHP and CMPO-HEH[EHP] systems
期刊论文
OAI收割
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 15, 页码: 5474-5482
作者:
Chai, ZF
;
Song, G
;
Lan, JH
;
Wu, QY
;
Wang, CZ
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收藏
  |  
浏览/下载:19/0
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提交时间:2019/09/24
Theoretical Insights into Preorganized Pyridylpyrazole-Based Ligands toward the Separation of Am(III)/Eu(III)
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2018, 卷号: 57, 期号: 23, 页码: 14810-14820
作者:
Lan JH(蓝建慧)
;
Wu QY(吴群燕)
;
Kong XH(孔祥鹤)
;
Chai, Z. F.
;
Wang, C. Z.
  |  
收藏
  |  
浏览/下载:18/0
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提交时间:2019/10/11