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科研机构
大连化学物理研究所 [61]
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期刊论文 [60]
会议论文 [1]
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2019 [8]
2018 [13]
2017 [3]
2016 [6]
2015 [6]
2014 [1]
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物理化学 [3]
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Transition metal carbide catalysts for biomass conversion: A review
期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 254, 页码: 510-522
作者:
Pang, Jifeng
;
Sun, Junming
;
Zheng, Mingyuan
;
Li, Houqian
;
Wang, Yong
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浏览/下载:72/0
  |  
提交时间:2019/12/02
Transition metal carbide
Catalysis
Biomass
Glycols
Lignin
Hydrodexoygenation
Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling
期刊论文
NATURE CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 744-749
作者:
Yang, Tiangang
;
Huang, Long
;
Xiao, Chunlei
;
Chen, Jun
;
Wang, Tao
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  |  
浏览/下载:51/0
  |  
提交时间:2019/12/02
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
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  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
The theoretical study about the ESIPT mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: Single or double?
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
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  |  
浏览/下载:36/0
  |  
提交时间:2019/06/20
double
ESIPT mechanism
intramolecular hydrogen bond
single
TDDFT
The theoretical study about the esipt mechanism for 2,4-bis(benzooxazol-2 '-yl)hydroquinone: single or double?
期刊论文
Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 3, 页码: 8
作者:
Hao, Jiaojiao
;
Yang, Yang
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  |  
浏览/下载:42/0
  |  
提交时间:2019/05/08
Double
Esipt mechanism
Intramolecular hydrogen bond
Single
Tddft
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61
作者:
Yang, Dapeng
;
Gao, Haiyan
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2019/06/20
frontier molecular orbital
infrared spectra
intramolecular hydrogen bond
potential energy curves
proton transfer
Explaining the influence of the introduced base sites into alkali oxide modified CsX towards side-chain alkylation of toluene with methanol
期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 23, 页码: 13234-13242
作者:
Guo, Hongchen
;
Li, Peidong
;
Han, Qiao
;
Zhang, Xiaomin
;
Yuan, Yangyang
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  |  
浏览/下载:49/0
  |  
提交时间:2019/06/25
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore
期刊论文
Journal of the chinese chemical society, 2019, 卷号: 66, 期号: 1, 页码: 56-61
作者:
Gao, Haiyan
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
;
Zhang, Qiaoli
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  |  
浏览/下载:38/0
  |  
提交时间:2019/05/08
Frontier molecular orbital
Infrared spectra
Intramolecular hydrogen bond
Potential energy curves
Proton transfer
Investigation of the coupled reaction of methyl acetate and n-hexane over HZSM-5
期刊论文
CHINESE JOURNAL OF CATALYSIS, 2018, 卷号: 39, 期号: 12, 页码: 1960-1970
作者:
Li, Jinzhe
;
Liu, Zhongmin
;
Yang, Kuo
;
Zhang, Xiao
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/06/20
Methyl acetate
n-Hexane
Coupled reaction
HZSM-5
Hydrogen transfer versus olefins methylation: On the formation trend of propene in the methanol-to-hydrocarbons reaction over Beta zeolites
期刊论文
JOURNAL OF CATALYSIS, 2018, 卷号: 368, 页码: 248-260
作者:
Yuan, Yangyang
;
Zhang, Jie
;
Xu, Lanjian
;
Zhang, Yanfei
;
Huang, Zhihua
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  |  
浏览/下载:20/0
  |  
提交时间:2019/06/20
Methanol to hydrocarbons
Beta
Bronsted acid site density
Hydrogen transfer
Methylation
Cracking
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