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大连化学物理研究所 [5]
兰州理工大学 [2]
上海药物研究所 [2]
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期刊论文 [15]
发表日期
2019 [15]
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Mechanism of Glucose-Fructose Isomerization over Aluminum Based Catalysts in Methanol Media
期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: 7, 期号: 17, 页码: 14962-14972
作者:
Ju, Zhaoyang
;
Zhang, Yuxuan
;
Zhao, Tingting
;
Xiao, Weihua
;
Yao, Xiaoqian
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浏览/下载:106/0
  |  
提交时间:2019/11/12
Glucose
Fructose
Aluminum-based catalysts
DFT
Isomerization
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole
期刊论文
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
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  |  
浏览/下载:35/0
  |  
提交时间:2020/07/01
A comparative study of S center dot center dot center dot pi chalcogen bonds between SF2 or SFH and C-C multiple bonds
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1188, 页码: 62-68
作者:
Su, He
;
Wu, Han
;
Wang, Hui
;
Wang, Hongyan
;
Ni, Yuxiang
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  |  
浏览/下载:8/0
  |  
提交时间:2020/07/01
Noncovalent chalcogen bond
First-principles
Molecular structure
Electronic properties
Energetic effects
Structures, energetics, and infrared spectra of the cationic monomethylamine clusters
期刊论文
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 7-11
作者:
Jiang, Shuai
;
Zhang, Xiaoli
;
Zheng, Xiucheng
;
Kong, Xiangtao
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  |  
浏览/下载:61/0
  |  
提交时间:2019/06/25
Monomethylamine
Structure
Energetics
Infrared photodissociation
Spectroscopy
Quantum chemical calculation
Donor Halogenation Effects on Electronic Structures and Electron Process Rates of Donor/C60 Heterojunction Interface: A Theoretical Study on F nZnPc (n = 0, 4, 8, 16) and Cl nSubPc (n = 0, 6)
期刊论文
Journal of Physical Chemistry A, 2019, 卷号: 123, 期号: 18, 页码: 4034-4047
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Shen, Yu-Lin
;
Liu, Zi-Jiang
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  |  
浏览/下载:2/0
  |  
提交时间:2020/11/14
Binding energy
Charge transfer
Density functional theory
Electronic structure
Halogen compounds
Heterojunctions
Molecular orbitals
Monomers
Open circuit voltage
Rate constants
Structural design
Charge recombinations
Direct-charge transfers
Energy level alignment
Heterojunction interfaces
Intermolecular binding
Molecular orbital energy
Separation parameters
Spectroscopic property
Donor Halogenation Effects on Electronic Structures and Electron Process Rates of Donor/C-60 Heterojunction Interface: A Theoretical Study on FnZnPc (n=0, 4, 8, 16) and CI(n)SubPc (n=0, 6)
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 4034-4047
作者:
Bai, Rui-Rong
;
Zhang, Cai-Rong
;
Wu, You-Zhi
;
Shen, Yu-Lin
;
Liu, Zi-Jiang
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  |  
浏览/下载:14/0
  |  
提交时间:2019/11/15
Syntheses, Structural Characterizations and Spectroscopic Properties of Two Copper(I) Complexes Based on Diphosphine Ligands and [2,3-f]pyrazino[1,10]phenanthroline
期刊论文
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2019, 卷号: 35, 期号: 4, 页码: 720-728
作者:
Lu Yan-Lei
;
Zhu Ning
;
Zhao Yu-Meng
;
Lin Sen
;
Kuang Xiao-Nan
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  |  
浏览/下载:118/0
  |  
提交时间:2019/06/20
[2,3-f]pyrazino[1,10]phenanthroline
Cu(I) complexes
fluorescence
terahertz (THz) time-domain absorption spectroscopy
TDDFT study on aluminum and fluoride dual-sensing mechanism of a Schiff-Base sensor
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 44-51
作者:
Li, Guang-Yue
;
Liu, Dong
;
Wang, Jie-Ping
;
Zhou, Can-Hua
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  |  
浏览/下载:60/0
  |  
提交时间:2019/06/20
Sensor
Fluorescence
Excited state
TICT
ESPT
Tddft study on aluminum and fluoride dual-sensing mechanism of a schiff-base sensor
期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 211, 页码: 44-51
作者:
Liu, Dong
;
Wang, Jie-Ping
;
Li, Guang-Yue
;
Zhou, Can-Hua
收藏
  |  
浏览/下载:112/0
  |  
提交时间:2019/05/08
Sensor
Fluorescence
Excited state
Tict
Espt
Diphenylene‐Tetracyanoquinodimethane Cocrystals as Stable Organic Rectifiers.
期刊论文
ChemPlusChem, 2019, 卷号: Vol.84 No.9, 页码: 1245-1248
作者:
Li, Rui
;
Li, Jinfeng
;
Sun, Yajing
;
Zhang, Xiaotao
;
Hu, Wenping
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  |  
浏览/下载:5/0
  |  
提交时间:2019/11/21
charge transfer
cocrystals
donor-acceptor complexes
rectifiers
self-assembly
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