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大连化学物理研究所 [14]
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Analyzing the Mechanism of Functional Groups in Phosphate Additives on the Interface of LiNi0.8Co0.15Al0.05O2Cathode Materials
期刊论文
ACS Applied Materials and Interfaces, 2021, 卷号: 13, 期号: 14, 页码: 16939-16951
作者:
Wang, Jie
;
Zhao, Dongni
;
Cong, Yuanyuan
;
Zhang, Ningshuang
;
Wang, Peng
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2021/06/03
Additives
Aluminum compounds
Cathodes
Chelation
Chemical analysis
Crosslinking
Electrolytes
Free energy
Gibbs free energy
Ionization potential
Ligands
Lithium-ion batteries
Nickel compounds
Oxalic acid
Quantum chemistry
Salts
Advanced lithium-ion batteries
Electrochemical impedance
Electrochemical performance
Functional electrolytes
Gibbs free energy calculations
Polymerization reaction
Quantum chemistry calculations
Vertical ionization potentials
Theoretical insights on type I/II photoreactions of potential Zn(II) polypyridyl photosensitizers for two-photon photodynamic therapy
期刊论文
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2020, 卷号: 242
作者:
Yin, Xue
;
Luo, Li-Long
;
Li, Hui
;
Lai, Xiao-Yong
;
Wang, Xin
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2020/11/14
Absorption spectroscopy
Ionization potential
Luminescence of organic solids
Photodynamic therapy
Photons
Photoreactivity
Photosensitizers
Ruthenium compounds
Two photon processes
Photophysical properties
TPA cross sections
Two-photon absorption cross section
Two-photon absorption spectrum
Two-photon photodynamic therapies
Type-II photoreaction
Vertical electron affinities
Vertical ionization potentials
Electrospray ionization photoelectron spectroscopy of cryogenic [EDTA center dot M(ii)](2-) complexes (M = Ca, V-Zn): electronic structures and intrinsic redox properties
期刊论文
FARADAY DISCUSSIONS, 2019, 卷号: 217, 页码: 383-395
作者:
Yuan, Qinqin
;
Kong, Xiang-Tao
;
Hou, Gao-Lei
;
Jiang, Ling
;
Wang, Xue-Bin
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/12/02
Ionization and Electron Attachment for Nucleobases in Water
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 6, 页码: 1237-1247
作者:
Xie, Peng
;
Zhang, Yan
;
Yang, Songqiu
;
Han, Keli
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/06/20
Ionization and electron attachment for nucleobases in water
期刊论文
Journal of physical chemistry b, 2019, 卷号: 123, 期号: 6, 页码: 1237-1247
作者:
Zhang, Yan
;
Xie, Peng
;
Yang, Songqiu
;
Han, Keli
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2019/05/08
Substituent effects on dynamics at conical intersections: Allene and methyl allenes
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 144, 期号: 1
作者:
Neville, Simon P.
;
Wang, Yanmei
;
Boguslavskiy, Andrey E.
;
Stolow, Albert
;
Schuurman, Michael S.
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  |  
浏览/下载:23/0
  |  
提交时间:2016/03/18
Structural, electronic, and magnetic properties in FeAlAun (n=1-6) clusters: A first-principles study
期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 6, 页码: 67101
作者:
Zhang, JF
;
Zhang, M
;
Zhao, YW
;
Zhang, HY
;
Zhao, LN
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  |  
浏览/下载:9/0
  |  
提交时间:2016/04/18
density functional theory
structural properties
gold properties
Identification of hyperhalogens in Ag-n(BO2)(m) (n=1-3, m=1-2) clusters: anion photoelectron spectroscopy and density functional calculations
期刊论文
physical chemistry chemical physics, 2014, 卷号: 16, 期号: 47, 页码: 26067-26074
作者:
Kong, Xiang-Yu
;
Xu, Hong-Guang
;
Koirala, Pratik
;
Zheng, Wei-Jun
;
Kandalam, Anil K.
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/17
First-Principles Investigation of Anisotropic Electron and Hole Mobility in Heterocyclic Oligomer Crystals
期刊论文
chemphyschem, 2013, 卷号: 14, 期号: 11, 页码: 2579-2588
作者:
Huang, Jin-Dou
;
Wen, Shu-Hao
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2014/09/11
anisotropy
charge transfer
first-principles calculations
heterocycles
oligomers
Photoelectron spectroscopy and theoretical study of M(IO3)(2)(-) (M = H, Li, Na, K): Structural evolution, optical isomers, and hyperhalogen behavior
期刊论文
journal of chemical physics, 2013, 卷号: 139, 期号: 4
作者:
Hou, Gao-Lei
;
Wu, Miao Miao
;
Wen, Hui
;
Sun, Qiang
;
Wang, Xue-Bin
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/09
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