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DFT characterization and design of anthracene-based molecules for improving spectra and charge transfer
期刊论文
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2019, 页码: 117627
作者:
Liu Qian
;
Wang Qungui
;
Xu Ming
;
Liu Jinglin
;
Liang Jianping
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/02
Density functional theory,Electron transfer,Excited state,Short-circuit current density,Solar cells
DFT characterization and design of anthracene-based molecules for improving spectra and charge transfer
期刊论文
2019, 页码: 117627
作者:
Liu Qian
;
Wang Qungui
;
Xu Ming
;
Liu Jinglin
;
Liang Jianping
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/20
Density functional theory
Electron transfer
Excited state
Short-circuit current density
Solar cells
Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer
期刊论文
JOURNAL OF LUMINESCENCE, 2018, 卷号: 204, 页码: 642-648
作者:
Chu, Tian-Shu
;
Li, Yang
;
Zhao, Jin-Feng
收藏
  |  
浏览/下载:149/0
  |  
提交时间:2019/06/20
Fluorescent probe
Density functional theory
Excited state intramolecular proton transfer
Photoinduced electron transfer
Intramolecular charge transfer
Recent progress on the development of glutathione (GSH) selective fluorescent and colorimetric probes
期刊论文
Coordination Chemistry Reviews, 2018, 卷号: 366, 页码: 29-68
作者:
Lee, Songyi
;
Li, Jun
;
Zhou, Xin*
;
Yin, Jun*
;
Yoon, Juyoung*
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/23
GSH
glutathione
Cys
cystein
Hcy
homocystein
NPs
nanoparticles
CL
chemiluminescence
PEC
photoelectrochemical
MB
magnetic beads
CDC
carbon dot cluster
AuNPs
gold nanoparticles
ACD
anionic carbon dots
PFR
phenol formaldehyde resin
N-GQD
nitrogen-doped graphene quantum dot
ICT
intramolecular charge transfer
PET
photoinduced electron transfer
FRET
Förster resonance energy transfer
CTAB
cetrimonium bromide
QY
quantum yield
IFE
inner-filter effect
ESIPT
excited-state intramolecular proton transfer
NIR
near-infrared
NEM
N-ethylmaleimide
AD
Alzheimer's disease
LOD
limit of detection
BODIPY
Boron dipyrromethene difluoride
DNBS
2,4-dinitrobenzenesulfonyl
NBD
7-nitrobenzo-2-oxa-1,3-diazole
MOF
metalorganic frameworks
DFT
density functional theory
TMB
3,3′,5,5′-tetramethylbenzidine
TMPyP
5,10,15,20-tetrakis (1-methyl-4-pyridinio)porphyrin
Fluorescence probes
GSH probes
Colorimetric chemosensors
Biothiol probes
Glutathione probe
Bioimaging
Energy level splitting and parity oscillation in Lipkin-Meshkov-Glick model [Lipkin-Meshkov-Glick模型中的能级劈裂与宇称振荡研究]
期刊论文
Wuli Xuebao/Acta Physica Sinica, 2018, 卷号: 67
作者:
Yu, Y.-X.
;
Song, N.-F.
;
Liu, W.-M.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/30
Electrodynamics
Excited states
Ground state
Perturbation techniques
Phase transitions
Quantum electronics
Quantum optics
Spinning (fibers)
Energy level splitting
Exact diagonalization method
Lipkin-Meshkov-Glick model
Parity oscillations
Perturbation theory
Quantum information systems
Quantum perturbation theory
Quantum phase transitions
Quantum entanglement
Insight into the excited-state intramolecular double-proton transfer of the 2,5-bis(benzoxazol-2-yl)thiophene-3,4-diol: one-step or stepwise mechanism?
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2017, 卷号: 136, 期号: 5
作者:
Yang, Yunfan
;
Lu, Meiheng
;
Chu, Tianshu
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/10/29
Excited-state intramolecular double-proton transfer
Time-dependent density functional theory
Stepwise mechanism
Hydrogen bond strengthening
Organic light-emitting diodes: theoretical understanding of highly efficient materials and development of computational methodology
期刊论文
NATIONAL SCIENCE REVIEW, 2017, 卷号: 4, 期号: 2, 页码: 224-239
作者:
Shuai, Zhigang
;
Peng, Qian
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2018/04/19
Excited-state Theory
Organic Electroluminescence
Spin Statistics
Quantum Efficiency
Vibration Correlation Function
Excited-state proton transfer of 4-hydroxyl-1, 8-naphthalimide derivatives: A combined experimental and theoretical investigation
期刊论文
JOURNAL OF LUMINESCENCE, 2016, 卷号: 177, 页码: 197-203
作者:
Qu, Zongjin
;
Li, Peng
;
Zhang, Xuexiang
;
Wang, Endong
;
Wang, Yanni
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2019/06/20
Naphthalimide
Excited-state Proton Transfer
Photoacid
Contact Ion Pair
Time-dependent Density Functional Theory
The ground state and low-lying excited states of CCCN radical and its ions: a CASSCF/CASPT2 study
期刊论文
CANADIAN JOURNAL OF PHYSICS, 2016, 卷号: 94, 期号: 9, 页码: 803-807
Yu, AY
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2016/12/28
CCCN radical
ground state
low-lying excited states
complete active space self-consistent field
multi-configuration second-order perturbation theory
Excited-state hydrogen bond strengthening of coumarin 153 in ethanol solvent: a TDDFT study
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2016, 卷号: 29, 期号: 6, 页码: 305-311
作者:
Xu, Jinmei
;
Chen, Junsheng
;
Dong, Shunle
;
Fu, Aiping
;
Li, Hongliang
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/06/20
Coumarin C153
Ethanol Solvent
Excited State
Hydrogen Bond
Time-dependent Density Functional Theory
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