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武汉物理与数学研究... [21]
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期刊论文 [21]
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2018 [2]
2017 [2]
2016 [2]
2015 [1]
2013 [2]
2012 [1]
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波谱分析 [3]
原子分子物理学 [1]
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专题:武汉物理与数学研究所
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Effect of substitution position on photoelectronic properties of indolo[3,2-b] carbazole-based metal-free organic dyes
期刊论文
SOLAR ENERGY, 2018, 卷号: 173, 页码: 825-833
作者:
Feng, Jiwen
;
Cheng, Xudong
;
Wang, Huijuan
;
Di, Yi
;
Chen, Bing
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/04/30
Dye sensitized solar cells
DFT calculations
D-D-pi-A
Co-sensitization
Theoretical study on twisted intramolecular charge transfer of 1-aminoanthraquinone in different solvents
期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 8
作者:
Sun, Si-Mei
;
Zhang, Song
;
Jiang, Chao
;
Guo, Xiao-Shan
;
Hu, Yi-Hui
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2018/11/05
1-aminoanthraquinone
Conformational Relaxation
Twisted Intra-molecular Charge Transfer
Quantum Chemical Calculations
Stability, bonding and electronic structures of halogenated MoS2 monolayer: A first-principles study
期刊论文
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2017, 卷号: 91, 页码: 8-14
作者:
Cao, Gengyu
;
Huang, Min
;
Li, Hongxing
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  |  
浏览/下载:17/0
  |  
提交时间:2017/12/06
Halogenated Mos2
First-principles Calculations
Electronic Structure
Semifluorinated Mos2
Effect of P-Containing Ligands on the Structural and Optical Properties of (CdSe)(n) (n=3, 6, 10) Clusters
期刊论文
JOURNAL OF CLUSTER SCIENCE, 2017, 卷号: 28, 期号: 4, 页码: 1825-1836
作者:
Huang, De-Lin
;
Yang, Ming-Hui
;
Yang, Ming-Li
;
Zhao, Zhi-Gang
;
Yu, Sheng-Ping
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  |  
浏览/下载:18/0
  |  
提交时间:2017/12/06
Ligand Effect
Cdse Clusters
Optical Properties
First-principles Calculations
Theoretical studies of three-dimensional potential energy surfaces using neural networks and rotational spectra of the Ar-N-2 complex
期刊论文
MOLECULAR PHYSICS, 2016, 卷号: 114, 期号: 1, 页码: 72-82
作者:
Fu, Hong
;
Zheng, Rui
;
Zheng, Limin
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  |  
浏览/下载:15/0
  |  
提交时间:2016/02/01
Ar-N-2
potential energy surface
neural networks
bound-state calculations
spectroscopic parameters
Rotational spectra of the Ne-N-2 complex based on a new three-dimensional potential energy surface using neural networks
期刊论文
JOURNAL OF MOLECULAR SPECTROSCOPY, 2016, 卷号: 319, 页码: 39-46
作者:
Fu, Hong
;
Zheng, Rui
;
Zheng, Limin
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  |  
浏览/下载:25/0
  |  
提交时间:2016/04/18
Ne-N-2
Potential energy surface
Neural networks
Bound state calculations
Spectroscopic parameters
Identification of tert-Butyl Cations in Zeolite H-ZSM-5: Evidence from NMR Spectroscopy and DFT Calculations
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2015, 卷号: 54, 期号: 30, 页码: 8783-8786
作者:
Dai, Weili
;
Wang, Chuanming
;
Yi, Xianfeng
;
Zheng, Anmin
;
Li, Landong
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  |  
浏览/下载:24/0
  |  
提交时间:2015/09/11
adsorption
density functional calculations
heterogeneous catalysis
NMR spectroscopy
zeolites
Direct Observation of Cyclic Carbenium Ions and Their Role in the Catalytic Cycle of the Methanol-to-Olefin Reaction over Chabazite Zeolites
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2013, 卷号: 52, 期号: 44, 页码: 11564-11568
作者:
Xu, Shutao
;
Zheng, Anmin
;
Wei, Yingxu
;
Chen, Jingrun
;
Li, Jinzhe
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/06/23
carbenium ions
density functional calculations
methanol
olefins
zeolites
Vibrational spectra and trace determination of p-difluorobenzene and ethylbenzene
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 卷号: 107, 页码: 1-7
作者:
Wang, Jian
;
Zhu, Rongshu
;
Qin, Chen
;
Wang, Yanmei
;
Zhang, Song
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/06/23
Vibrational spectra
Ab initio calculations
Trace determination
Identification of Three Novel Polyphenolic Compounds, Origanine A-C, with Unique Skeleton from Origanum vulgare L. Using the Hyphenated LC-DAD-SPE-NMR/MS Methods
期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2012, 卷号: 60, 期号: 1, 页码: 129-135
作者:
Liu, Hongbing
;
Zheng, Anmin
;
Liu, Huili
;
Yu, Haiyan
;
Wu, Xiangyu
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2015/06/25
Origanum vulgare L.
polyphenolic compounds
cyclohexenetetracarboxylic acids
LC-DAD-SPE-NMR/MS
origanine A-C
computational calculations
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