×
验证码:
换一张
忘记密码?
记住我
CORC
首页
科研机构
检索
知识图谱
申请加入
托管服务
登录
注册
在结果中检索
科研机构
大连化学物理研究所 [60]
山东大学 [45]
高能物理研究所 [43]
大连理工大学 [37]
上海应用物理研究所 [32]
湖南大学 [30]
更多...
内容类型
期刊论文 [597]
学位论文 [25]
会议论文 [22]
专利 [1]
专著 [1]
仪器设备 [1]
更多...
发表日期
2018 [648]
学科主题
Materials... [11]
Chemistry,... [8]
Chemistry [6]
Materials ... [5]
Chemistry,... [4]
Energy & F... [3]
更多...
×
知识图谱
CORC
开始提交
已提交作品
待认领作品
已认领作品
未提交全文
收藏管理
QQ客服
官方微博
反馈留言
浏览/检索结果:
共648条,第1-10条
帮助
限定条件
发表日期:2018
已选(
0
)
清除
条数/页:
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
排序方式:
请选择
作者升序
作者降序
题名升序
题名降序
发表日期升序
发表日期降序
提交时间升序
提交时间降序
The stability of graphene-based Mobius strip with vacancy and at high-temperature
期刊论文
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:7/0
  |  
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
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
FUEL, 2018, 卷号: 234, 页码: 1165-1172
作者:
Fan, Hongjun
;
Xu, Wei
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
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:25/0
  |  
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
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
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
The electronic structures and excitation properties of three mesopentafluorophenyl substituted zinc porphyrin-fullerene dyad
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/11/15
Porphyrin fullerene dyad
Electronic structures
Excited states
Density functional theory
Time dependent density functional theory
The electronic structures and excitation properties of three meso-pentafluorophenyl substituted zinc porphyrin–fullerene dyad
期刊论文
Journal of Molecular Structure, 2018, 卷号: 1173, 页码: 398-405
作者:
Lu, Xiao-Juan
;
Zhang, Cai-Rong
;
Shen, Yu-Lin
;
Wu, You-Zhi
;
Liu, Zi-Jiang
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2020/11/14
Charge transfer
Electronic structure
Excited states
Fullerenes
Geometry
Molecular orbitals
Optoelectronic devices
Porphyrins
Structural properties
Zinc
Highest occupied molecular orbital
Lowest unoccupied molecular orbital
Optoelectronic properties
Partial delocalization
Porphyrin fullerenes
Synergistic enhancement
Time dependent density functional theory
Transient intermediate
A binding model study on TNP fluorescent sensor 4,40-(9,9 dimethylfluorene-2,7-diy1)dibenzoic acid
期刊论文
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
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
©版权所有 ©2017 CSpace - Powered by
CSpace