中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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大连化学物理研究所 [60]
高能物理研究所 [43]
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期刊论文 [293]
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2018 [314]
学科主题
Materials... [11]
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发表日期:2018
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The stability of graphene-based Mobius strip with vacancy and at high-temperature
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 31, 页码: 9
作者:
Yang, Kaishuai
;
Zhang, Chuanguo
;
Zheng, Xiaohong
;
Wang, Xianlong
;
Zeng, Zhi
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2020/03/31
Graphene-based Mobius strip
mono-vacancy defect
melting temperature
Synergistically enhancing Fenton-like degradation of organics by in situ transformation from Fe3O4 microspheres to mesoporous Fe, N-dual doped carbon
期刊论文
OAI收割
SCIENCE OF THE TOTAL ENVIRONMENT, 2018, 卷号: 645, 页码: 550-559
作者:
Feng, Hongru
;
Song, Shuang
;
Zhang, Xiaole
;
He, Zhiqiao
;
Hua, Jianan
  |  
收藏
  |  
浏览/下载:154/0
  |  
提交时间:2019/06/20
Fe/N-codoped carbon
Fenton-like
Peroxymonosulfate
Graphitic N and Fe-N sites
Organics degradation
Kinetics of reaction RH + O-2 = R + HO2 (RH = normal C1-C14 alkanes): A DFT investigation
期刊论文
OAI收割
FUEL, 2018, 卷号: 234, 页码: 1165-1172
作者:
Fan, Hongjun
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/06/20
Fuel combustion
Long alkane
Kinetics
First-principle
A nonpolar solvent effect by CH/ interaction inside zeolites: characterization, mechanism and concept
期刊论文
OAI收割
CHEMICAL COMMUNICATIONS, 2018, 卷号: 54, 期号: 95, 页码: 13435-13438
作者:
Zheng, Anmin
;
Tsang, Shik Chi Edman
;
Peng, Yung-Kang
;
Yi, Xianfeng
;
Huang, Ling
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/04/30
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
作者:
Zhou, Panwang
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/06/20
ADC(2)
cyanine dyes
rhodamine dyes
TDDFT
XMCQDPT2
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory
期刊论文
iSwitch采集
International journal of quantum chemistry, 2018, 卷号: 118, 期号: 23, 页码: 11
作者:
Zhou, Panwang
收藏
  |  
浏览/下载:40/0
  |  
提交时间:2019/05/08
Adc(2)
Cyanine dyes
Rhodamine dyes
Tddft
Xmcqdpt2
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
OAI收割
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2018, 卷号: 367, 页码: 282-289
作者:
Yang, Yanqiang
;
Ma, Yinhua
;
Zhao, Jinfeng
;
Liu, Jianyong
;
Chu, Tianshu
  |  
收藏
  |  
浏览/下载:120/0
  |  
提交时间:2019/06/20
Binding model
Time-dependent density functional theory
Weak interactions
TNP sensing
Photoinduced electron transfer
Binding energy
Exploring and elaborating the excited state mechanism of a novel AIE material 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole
期刊论文
OAI收割
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1767-1773
作者:
Zhang, Qiaoli
;
Zhao, Jinfeng
;
Yang, Guang
;
Jia, Min
;
Song, Xiaoyan
  |  
收藏
  |  
浏览/下载:151/0
  |  
提交时间:2019/06/20
Intramolecular hydrogen bond
Frontier molecular orbital
Charge density difference
Excited state proton transfer
Transition state
Superior high-rate lithium-ion storage on Ti2Nb10O29 arrays via synergistic TiC/C skeleton and N-doped carbon shell
期刊论文
OAI收割
NANO ENERGY, 2018, 卷号: 54, 页码: 304-312
作者:
Ai, Changzhi
;
Lin, Shiwei
;
Wang, Yadong
;
Deng, Shengjue
;
Shen, Shenghui
  |  
收藏
  |  
浏览/下载:213/0
  |  
提交时间:2019/06/20
Titanium niobium oxide
TiC/C arrays
N-doped carbon
Lithium ion batteries
Electrochemical energy storage
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds
期刊论文
OAI收割
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:
Wang, Yusheng
;
Yang, Guang
;
Zhang, Qiaoli
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/06/20
Hydrogen bond
Charge density difference
ESIPT
Potential energy curves