中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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大连化学物理研究所 [38]
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期刊论文 [126]
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物理化学与绿色催化 [3]
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Study on Vibrational Spectra of Cypermethrin Based on Density Functional Theory
期刊论文
OAI收割
SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 卷号: 43, 期号: 5, 页码: 1381-1386
作者:
Liang Xiao-rui
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2024/01/26
Cypermethrin
Density functional theory
Infrared spectroscopy
Raman spectroscopy
基于密度泛函理论的氯氰菊酯振动光谱研究
期刊论文
OAI收割
光谱学与光谱分析, 2023, 卷号: 43, 期号: 5, 页码: 1381-1386
作者:
梁小蕊
;
丛静娴
;
李荫
;
刘洁
;
金靓婕
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/01/26
氯氰菊酯
密度泛函理论
红外光谱
拉曼光谱
Inhibition performance of 4-mercaptopyridine toward the corrosion of carbon steel in hydrochloric acid solution
期刊论文
OAI收割
JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY, 2021, 页码: 15
作者:
Han, Peng
;
Sun, Xin
;
Zhang, Buyun
;
Chang, Zhixuan
;
Shen, Ji
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2022/02/18
Surfactant
interface
electrochemical
bilayer
simulation
Novel insights on the encapsulation mechanism of PLGA terminal groups on ropivacaine
期刊论文
OAI收割
EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS, 2021, 卷号: 160, 页码: 143-151
作者:
Li, Xun
;
Wei, Yi
;
Wen, Kang
;
Han, Qingzhen
;
Ogino, Kenji
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/03/29
Terminal groups
Ropivacaine
Specific interactions
Pharmacokinetics
Pharmacodynamic
Experimental and Theoretical Study on Glycolic Acid Provided Fast Bio/Seawater-Degradable Poly(Butylene Succinate-co-Glycolate)
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2021, 卷号: 9, 期号: 10, 页码: 3843-3852
作者:
Hu, Han
;
Li, Jiayi
;
Tian, Ying
;
Chen, Chao
;
Li, Fenglong
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/12/01
Interpreting main features of the differential absorbance spectra of chlorinated natural organic matter: Comparison of the experimental and theoretical spectra of model compounds
期刊论文
OAI收割
WATER RESEARCH, 2020, 卷号: 185, 页码: 1-12
作者:
Chen, Bingya
;
Zhang, Chenyang
;
Zhao, Yanmei
;
Wang, Dongsheng
;
Korshin, Gregory, V
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收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/09/14
Chlorination
Differential absorbance spectra
Disinfection byproducts
Electronic transition
Natural organic matter
Frontier molecular orbital theory
Designing alkoxy-induced based high performance near infrared sensitive small molecule acceptors for organic solar cells
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 305, 页码: 11
作者:
Ans, Muhammad
;
Paramasivam, Mahalingavelar
;
Ayub, Khurshid
;
Ludwig, Ralf
;
Zahid, Muhammad
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2020/10/29
Transition density matrix
Fused ring electron acceptor
Reorganization energy
Non-fullerene acceptor
Open circuit voltages
Naphtho-dithiophene
Synergistic Features of Superoxide Molecule Anchoring and Charge Transfer on Two-Dimensional Ti3C2Tx MXene for Efficient Peroxymonosulfate Activation
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 8, 页码: 9209-9218
作者:
Ding, Mingmei
;
Chen, Wei
;
Xu, Hang
;
Lu, Chunhui
;
Lin, Tao
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2021/09/15
Fenton-like reactions
Ti3C2Tx monolayer
dimensional reduction
frontier orbitals
active sites
Investigation on the excited state intramolecular proton transfer process for the novel 2-(3,5-dichloro-2-hydroxy-phenyl)-benzooxazole-5-carboxylicacid system
期刊论文
OAI收割
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 10, 页码: 9
作者:
Gao, Haiyan
;
Yang, Xiaohui
;
Zhang, Tianjie
;
Yang, Dapeng
  |  
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2019/12/02
charge density differences
charge redistribution
ESIPT
frontier molecular orbital
intramolecular hydrogen bond
Can Hammett indicators accurately measure the acidity of zeolite catalysts with confined space? Insights into the mechanism of coloration
期刊论文
OAI收割
CATALYSIS SCIENCE & TECHNOLOGY, 2019, 卷号: 9, 期号: 18, 页码: 5045-5057
作者:
Chen, Wei
;
Yi, Xianfeng
;
Huang, Ling
;
Liu, Wentao
;
Li, Guangchao
  |  
收藏
  |  
浏览/下载:59/0
  |  
提交时间:2020/01/14