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CAS IR Grid
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大连化学物理研究... [316]
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期刊论文 [313]
会议论文 [3]
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2019 [41]
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物理化学 [28]
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专题:大连化学物理研究所
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A theoretical study of the ESIPT mechanism of 3-hydroxyflavone derivatives: solvation effect and the importance of TICT for its dual fluorescence properties
期刊论文
OAI收割
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 期号: 17, 页码: 3136-3143
作者:
Qi, Yutai
;
Lu, Meiheng
;
Wang, Yi
;
Tang, Zhe
;
Gao, Ziqing
  |  
收藏
  |  
浏览/下载:103/0
  |  
提交时间:2019/12/02
A theoretical exploration and regulating about the excited state process for 2-(4-(diphenylamino)phenyl)-3-hydroxy-4H-chromen-4-one system
期刊论文
OAI收割
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 8
作者:
Wang, Yusheng
;
Zhang, Qiaoli
;
Xu, Kai
;
Jiang, Weifen
;
Yang, Dapeng
  |  
收藏
  |  
浏览/下载:211/0
  |  
提交时间:2019/12/02
charge transfer
ESIPT
intramolecular hydrogen bond
solvent polarity
Effect of solvent environment on excited state intramolecular proton transfer in 2-(4-(dimethylamino)phenyl)-3-hydroxy-6,7-dimethoxy-4h-chromen-4-one
期刊论文
OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 32, 页码: 17711-17719
作者:
Chen, Yunpeng
;
Yang, Yunfan
;
Zhao, Yu
;
Liu, Shixing
;
Li, Yongqing
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems
期刊论文
OAI收割
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
  |  
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2019/12/02
Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system
期刊论文
OAI收割
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110)
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
作者:
Zhang, Ruidan
;
Dong, Jichao
;
Luo, Ting
;
Tang, Fujie
;
Peng, Xingxing
  |  
收藏
  |  
浏览/下载:63/0
  |  
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
OAI收割
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
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收藏
  |  
浏览/下载:54/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
Surface processes occurring during aqueous phase ethanol reforming on Ru/TiO2 tracked by ATR-IR spectroscopy
期刊论文
OAI收割
APPLIED CATALYSIS A-GENERAL, 2019, 卷号: 581, 页码: 111-115
作者:
Waheed, Ammara
;
Wang, Xianwei
;
Maeda, Nobutaka
;
Naito, Shuichi
;
Baiker, Alfons
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收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/12/02
Aqueous phase reforming
Ethanol
Hydrogen production
Ru/TiO2
Solid-liquid interface
In situ ATR-IR spectroscopy
Structures, energetics, and infrared spectra of the cationic monomethylamine clusters
期刊论文
OAI收割
CHEMICAL PHYSICS, 2019, 卷号: 523, 页码: 7-11
作者:
Jiang, Shuai
;
Zhang, Xiaoli
;
Zheng, Xiucheng
;
Kong, Xiangtao
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收藏
  |  
浏览/下载:61/0
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提交时间:2019/06/25
Monomethylamine
Structure
Energetics
Infrared photodissociation
Spectroscopy
Quantum chemical calculation
Catalytic conversion of glucose to small polyols over a binary catalyst of vanadium modified beta zeolite and Ru/C
期刊论文
OAI收割
JOURNAL OF ENERGY CHEMISTRY, 2019, 卷号: 34, 页码: 88-95
作者:
Sebastian, Joby
;
Zheng, Mingyuan
;
Li, Xinsheng
;
Pang, Jifeng
;
Wang, Chan
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收藏
  |  
浏览/下载:83/0
  |  
提交时间:2019/12/02
Vanadium
Glucose
Retro-aldol condensation
Polyols
Hydroxyacetone