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大连化学物理研究... [464]
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期刊论文 [431]
会议论文 [25]
项目 [6]
学位论文 [2]
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2019 [44]
2018 [30]
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物理化学 [53]
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Interwoven Molecular Chains Obtained by Ionic Self-Assembly of Two Iron(III) Porphyrins with Opposite and Mismatched Charges
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 37, 页码: 34203-34211
作者:
Xie, Yan
;
Zhong, Qinglu
;
Lv, Yang
;
Li, Jia
;
Hao, Zhiqiang
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浏览/下载:76/0
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提交时间:2019/12/02
porphyrin
electrocatalysts
ionic self-assembly
oxygen reduction reaction
molecular dynamics simulation
Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25
作者:
Shu, Yinan
;
Kryven, Joanna
;
Sampaio de Oliveira-Filho, Antonio Gustavo
;
Zhang, Linyao
;
Song, Guo-Liang
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浏览/下载:61/0
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提交时间:2019/12/02
Theoretical insights into elaborating and regulating excited state dynamics for the novel 6-cyano-2-(2 '-hydroxyphenyl)imidazo[1,2a]pyridine system in polar and nonpolar solvents
期刊论文
MOLECULAR PHYSICS, 2019, 页码: 9
作者:
Xu, Lei
;
Zhang, Qiaoli
;
Zhang, Tianjie
;
Yang, Dapeng
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  |  
浏览/下载:81/0
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提交时间:2019/12/02
Intramolecular hydrogen bond
ESIPT
charge density difference
charge redistribution
solvent polarity
Water Oxidation Catalysts for Artificial Photosynthesis
期刊论文
ADVANCED MATERIALS, 2019, 页码: 33
作者:
Ye, Sheng
;
Ding, Chunmei
;
Liu, Mingyao
;
Wang, Aoqi
;
Huang, Qinge
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浏览/下载:64/0
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提交时间:2019/12/02
artificial photosynthesis
heterogeneous catalysis
homogeneous catalysis
natural photosynthesis
water oxidation catalysts
Open Project of SKLMRD-K2019 (Open Project of the State Key Laboratory of Molecular Reaction Dynamics)
项目
资助机构: Open Project of SKLMRD-K2019 (Open Project of the State Key Laboratory of Molecular Reaction Dynamics), 2019-
-
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浏览/下载:11/0
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提交时间:2019/12/02
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
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
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浏览/下载:103/0
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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
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
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浏览/下载:55/0
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提交时间:2019/12/02
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:52/0
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提交时间:2019/12/02
Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species
期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 8, 页码: 2104-2109
作者:
Zang, Kailu
;
Zhang, Wenna
;
Huang, Jindou
;
Feng, Pei
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浏览/下载:53/0
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提交时间:2019/07/26
Zeolites
Reaction intermediates
Density functional theory
Methanol-to-olefins
SAPO-34
Surface methoxy species
Chabazite architecture
Steric hindrance
Mechanistic Understanding of Size-Dependent Oxygen Reduction Activity and Selectivity over Pt/CNT Nanocatalysts
期刊论文
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2019, 期号: 27, 页码: 3210-3217
作者:
Gan, Jie
;
Luo, Wei
;
Chen, Wenyao
;
Guo, Jianing
;
Xiang, Zhonghua
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浏览/下载:53/0
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提交时间:2019/12/02
Sustainable chemistry
Catalysis
Platinum
Active site
Density functional calculations
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