中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
过程工程研究所 [4]
高能物理研究所 [4]
福建物质结构研究所 [3]
大连化学物理研究所 [3]
长春应用化学研究所 [3]
力学研究所 [1]
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OAI收割 [20]
iSwitch采集 [1]
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期刊论文 [21]
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2020 [1]
2018 [2]
2017 [1]
2016 [2]
2015 [1]
2014 [2]
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Chemistry [1]
Chemistry;... [1]
Physics [1]
物理化学 [1]
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Coordination behavior of uranyl with PDAM derivatives in solution: Combined study with ESI-MS and DFT
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 300
作者:
Kong, Xiang-He
;
Wu, Qun-Yan
;
Zhang, Xin-Rui
;
Wang, Cui
;
Hu, Kong-Qiu
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
DENSITY-FUNCTIONAL THEORY
SELECTIVE EXTRACTION
MASS-SPECTROMETRY
LIGAND
COMPLEXES
ACTINIDES
SEPARATION
ELEMENTS
EU(III)
How does amino acid ligand modulate au core structure and characteristics in peptide coated au nanocluster?
期刊论文
iSwitch采集
Journal of nanoscience and nanotechnology, 2018, 卷号: 18, 期号: 3, 页码: 1799-1803
作者:
Li, Nan
;
Li, Xu
;
Zhao, Hongkang
;
Zhao, Lina
收藏
  |  
浏览/下载:110/0
  |  
提交时间:2019/04/23
Amino acid ligand
Au nanocluster
Atomic structure
Optical characteristics
Density functional theory calculation
How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?
期刊论文
OAI收割
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2018, 卷号: 18, 期号: 3, 页码: 1799-1803
作者:
Zhao, LN
;
Li, N
;
Li X(李旭)
;
Zhao LN(赵丽娜)
;
Li, X
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/09/24
Amino Acid Ligand
Au Nanocluster
Atomic Structure
Optical Characteristics
Density Functional Theory Calculation
Structural and Photophysical Properties of a Cd(II) Coordination Polymer Based on Mixed Aromatic Ligands: A Combined Experimental and Theoretical Study
期刊论文
OAI收割
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS, 2017, 卷号: 27, 页码: 923-933
作者:
Zhang, Hang
;
Zhou, Can-Hua
;
Liu, Dong
;
Li, Guang-Yue
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/10/29
Coordination Polymer
Ligand-to-ligand Charge Transfer
Density Functional Theory
Frontier Molecular Orbital
Fluorescence
Theoretical study of the effect of ligand topology on Fe(IV)O and Ru(IV)O complex reactivities
期刊论文
OAI收割
INORGANICA CHIMICA ACTA, 2016, 卷号: 443, 页码: 235-242
作者:
Tang, Zhe
;
Wang, Yi
;
Cui, Xiaolei
;
Yang, Ying
;
Tian, Jing
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/06/20
Non-heme
Density Functional Theory Calculation
Hydrogen Abstraction
Ligand Topology Effect
Insight Into the Influence of Ligand Conformation on Extraction Behaviour of Uranium: A Combined Theoretical and Experimental Study
期刊论文
OAI收割
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2016, 卷号: 16, 期号: 9, 页码: 9603-9611
作者:
Zhao, XS
;
Li, Y
;
Wang, L
;
Luo, Y
;
Wang, DQ
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2017/07/24
Uranium
Ligand Conformation
Solid-Phase Extraction
Density Functional Theory
Highly Isoselective Coordination Polymerization of ortho-Methoxystyrene with beta-Diketiminato Rare-Earth-Metal Precursors
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 卷号: 54, 期号: 17, 页码: 5205-5209
作者:
Liu, Dongtao
;
Yao, Changguang
;
Wang, Rong
;
Wang, Meiyan
;
Wang, Zichuan
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2015/10/29
beta-diketiminate ligand
density functional calculations
isoselective polymerization
ortho-methoxystyrene
rare-earth metal complex
A density functional theory study of the competitive complexation of pyridine against H2O and Cl- to Cm3+ and Ce4+
期刊论文
OAI收割
RADIOCHIMICA ACTA, 2014, 卷号: 102, 期号: 1-2, 页码: 101-109
作者:
Wang ZX(王祝翔)
;
Wang, ZX
;
Chai ZF(柴之芳)
;
王东琪;Chu, TW
;
Chai, ZF
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2016/04/08
Trivalent lanthanide and actinide
Tertiary pyridine resin
Ligand exchange
Density functional theory
Tuning the electronic properties and quantum efficiency of blue Ir(III) carbene complexes via different azole-pyridine-based (NN)-N-boolean AND ' ligands
期刊论文
OAI收割
rsc advances, 2014, 卷号: 4, 期号: 12, 页码: 6284-6292
Liu, Yuqi
;
Sun, Xiaobo
;
Si, Yanling
;
Qu,Xiaochun
;
Wang,Ying
;
Wu,Zhijian
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2015/10/19
LIGHT-EMITTING-DIODES
DENSITY-FUNCTIONAL THEORY
ORGANIC ELECTROLUMINESCENT DEVICES
CYCLOMETALATED IRIDIUM COMPLEXES
EFFECTIVE CORE POTENTIALS
PHOSPHITE TRIPOD LIGAND
AB-INITIO
PHOSPHORESCENCE EFFICIENCY
MOLECULAR CALCULATIONS
CIRCULAR-DICHROISM
Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand
期刊论文
OAI收割
synthetic metals, 2012, 卷号: 162, 期号: 15-16, 页码: 1392-1399
Su JJ
;
Sun XB
;
Gahungu G
;
Qu XC
;
Liu YQ
;
Wu ZJ
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2013/04/23
DENSITY-FUNCTIONAL THEORY
POLARIZABLE CONTINUUM MODEL
ENERGY-GAP LAW
EXCITED-STATES
ELECTROLUMINESCENT DEVICES
IR(III) COMPLEXES
ELECTROCHEMICAL PROPERTIES
BLUE PHOSPHORESCENCE
EXCITATION-ENERGIES
ANCILLARY LIGAND