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期刊论文 [8]
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Impact of metal ns(2) lone pair on luminescence quantum efficiency in low-dimensional halide perovskites
期刊论文
PHYSICAL REVIEW MATERIALS, 2019, 卷号: 3
作者:
Shi, Hongliang
;
Han, Dan
;
Chen, Shiyou
;
Du, Mao-Hua
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浏览/下载:6/0
  |  
提交时间:2019/12/30
Calculations
Dissociation
Electronic structure
Energy dissipation
Energy efficiency
Excited states
Excitons
Ground state
Inorganic compounds
Lead compounds
Luminescence
Metal halides
Metals
organic-inorganic materials
Perovskite
Quantum chemistry
Tin compounds
Excited-state properties
First-principles calculation
Ground state electronic structure
Hybrid organic-inorganic
Luminescence quantum efficiency
Metal halide clusters
Photoluminescence quantum efficiency
Structural distortions
Quantum efficiency
The molecular structures and spectroscopic properties of the ground state and the first excited state of pVP
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 卷号: 1117, 页码: 266-275
作者:
Wu, Lidan
;
Yan, Linyin
;
Xia, Andong
;
Lin, ShengHien
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  |  
浏览/下载:27/0
  |  
提交时间:2018/07/02
P-vinylphenol
Td-dft
Ground State
First Excited State
Time-dependent density functional theory study on the excited-state hydrogen-bonding characteristics of polyaniline in aqueous environment
期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2017, 卷号: 171, 页码: 305-310
作者:
Zhang, Yahong
;
Duan, Yuping
;
Liu, Jin
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/02
Excited-state
First-principles
TDDFT
Hydrogen bond
Reinterpretation of the resonant two-photon ionization spectrum of 1-methylphenylhydrazine
期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2012, 卷号: 1028, 页码: 13-15
作者:
Dong, Changwu
;
Yu, Dan
;
Zhang, Lijuan
;
Du, Yikui
;
Zhu, Qihe
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浏览/下载:74/0
  |  
提交时间:2019/04/09
1-methylphenylhydrazine
The First Electronically Excited State
Photodissociation
R2p1 Spectrum
N-methylaniline
P-p-pi Conjugation
Reinterpretation of the resonant two-photon ionization spectrum of 1-methylphenylhydrazine
期刊论文
journal of molecular structure, 2012, 卷号: 1028, 页码: 13-15
作者:
Dong, Changwu
;
Yu, Dan
;
Zhang, Lijuan
;
Du, Yikui
;
Zhu, Qihe
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  |  
浏览/下载:81/0
  |  
提交时间:2015/11/12
1-Methylphenylhydrazine
The first electronically excited state
Photodissociation
R2P1 spectrum
N-methylaniline
p-p-pi Conjugation
激发态过程的多体理论方法
期刊论文
2005
黄美纯
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浏览/下载:2/0
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提交时间:2011/04/26
多体理论
激发态过程
第一性原理方法
many-body theory
excited-state process
the first principles method
The changing features of the molecular intrinsic characteristic contours of H2 molecule in the ground and first excited states calculated by an ab initio method
期刊论文
Journal of Molecular Structure: THEOCHEM, 2002, 卷号: Vol.579 No.1, 页码: 73-84
作者:
Zhao, Dong-Xia
;
Yang, Zhong-Zhi
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浏览/下载:2/0
  |  
提交时间:2019/02/27
The
molecular
intrinsic
characteristic
contour
The
ground
state
The
first
excited
state
Ab
initio
method
The
potential
acting
on
an
electron
in
a
molecule
Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 1996, 卷号: 12, 期号: 9, 页码: 780-785
作者:
Guo Jianxin
;
Zhang Qiyuan
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浏览/下载:18/0
  |  
提交时间:2019/04/09
2-pyrazoline Compound
Electron Transfer
Molecular Structure
The First Excited Singlet State
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