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科研机构
大连理工大学 [38]
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期刊论文 [38]
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2020 [1]
2019 [5]
2018 [1]
2017 [2]
2015 [2]
2013 [10]
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专题:大连理工大学
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TD-DFT insights into the sensing potential of the luminescent covalent organic framework for indoor pollutant formaldehyde
期刊论文
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020, 卷号: 224, 页码: 117432
作者:
Hussain Manzoor
;
Song Xuedan
;
Shah Shaheen
;
Hao Ce
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2019/12/02
Electronically excited states,Hydrogen bonding,Luminescent (TT-COF),MOMAP
General Strategy for in Situ Generation of a Coumarin-Cu2+ Complex for Fluorescent Water Sensing
期刊论文
ANALYTICAL CHEMISTRY, 2019, 卷号: 91, 页码: 5817-5823
作者:
Cheng, Wenjing
;
Xie, Yiting
;
Yang, Zhiyu
;
Sung, Yueqing
;
Zhang, Ming-Zhi
收藏
  |  
浏览/下载:78/0
  |  
提交时间:2019/12/02
Complex networks
Fluorescence
Hydrogen bonds
Moisture
Organic solvents
Single crystals
Supramolecular chemistry, Commercial products
Copper complexes
Hydrogen bond acceptors
Hydrogen bonding network
Moisture sensing
Sensing mechanism
Single-crystal diffraction
Supramolecular networks, Copper compounds
Molecular dynamics simulation on the effect of water uptake on hydrogen bond network for OH- conduction in imidazolium-g-PPO membrane
期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 页码: 3760-3770
作者:
Huo, Jun
;
Qi, Wenxu
;
Zhu, Hongda
;
Yang, Boyun
;
He, Gaohong
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/12/02
Imidazolium-g-PPO membrane
OH- conduction
Hydrogen bonding
Water uptake
Molecular dynamics simulation
Theoretical Studies on the Fluorescence Enhancement of Benzaldehydes by Intermolecular Hydrogen Bonding
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 页码: 884-890
作者:
Su, Yan
;
Li, Keyao
;
Yu, Xueke
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/12/02
Aldehydes
Chlorine compounds
Density functional theory
Energy gap
Excited states
Fluorescence
Methanol
Quenching, Fluorescence enhancement
Fluorescence quenching mechanism
Hydroxy groups
Intermolecular hydrogen bonding
Non-radiative transitions
Proximity effects
Theoretical study
Time dependent, Hydrogen bonds
LCOFs: Role of the excited state hydrogen bonding in the detection for nitro-explosives
期刊论文
JOURNAL OF LUMINESCENCE, 2019, 卷号: 215
作者:
Xu, Yao
;
Song, Xuedan
;
Hao, Ce
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/12/02
Luminescent covalent organic frameworks
Nitro-explosives
Hydrogen bonding
Fluorescence quenching
Detection mechanism
TDDFT
Supramolecular crowns: a new class of cyclic hydrogen-bonded cavitands
期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 页码: 611-617
作者:
Chen, Qiang
;
Su, Xiaoshi
;
Orentas, Edvinas
;
Shi, Qixun
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/12/02
Aggregates
Gel permeation chromatography
Hydrogen
Monomers
Supramolecular chemistry, Aggregate stability
Aggregation process
Bicyclic monomers
High-fidelity
Internal volume
Non-covalent
Quadruple hydrogen bonding
Selective formation, Hydrogen bonds
A 2D covalent organic framework as a sensor for detecting formaldehyde
期刊论文
JOURNAL OF MOLECULAR MODELING, 2018, 卷号: 24, 页码: 153
作者:
Wang, Yaping
;
Zhao, Zhengyan
;
Li, Guanglan
;
Yan, Yang
;
Hao, Ce
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/02
Covalent organic framework
Formaldehyde sensor
TDDFT
Hydrogen bonding
Molecular dynamics study of confined structure and diffusion of hydrated proton in Hyfion (R) perfluorosulfonic acid membranes
期刊论文
CHEMICAL ENGINEERING SCIENCE, 2017, 卷号: 158, 页码: 234-244
作者:
Zhang, Ning
;
Liu, Zhao
;
Ruan, Xuehua
;
Yana, Xiaoming
;
Song, Yuechun
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/12/02
Hyfion (R)
Molecular dynamics simulation
Hydrated proton
Hydrogen bonding
Hydrogen bonding interactions between the organic oxygen/nitrogen monomers of lignite and water molecules: A DFT and AIM study
期刊论文
FUEL PROCESSING TECHNOLOGY, 2017, 卷号: 168, 页码: 58-64
作者:
Xiao, Jian
;
Zhao, Yun-Peng
;
Fan, Xing
;
Cao, Jing-Pei
;
Kang, Guo-Jun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
Lignite monomers
Organic oxygen/nitrogen
Hydrogen bonding interactions
DFT
AIM
Effect of hydrogen bonding on self-diffusion in methanol/water liquid mixtures: A molecular dynamics simulation study
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2015, 卷号: 203, 页码: 90-97
作者:
Zhang, Ning
;
Shen, Zhuanglin
;
Chen, Cong
;
He, Gaohong
;
Hao, Ce
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/09
Molecular dynamics simulation
Hydrogen bonding state
Self-diffusion
Methanol/water mixture
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