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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
大连化学物理研究所 [3]
长春应用化学研究所 [3]
过程工程研究所 [2]
金属研究所 [1]
化学研究所 [1]
上海应用物理研究所 [1]
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OAI收割 [12]
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期刊论文 [11]
学位论文 [1]
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2019 [1]
2017 [2]
2016 [1]
2015 [2]
2014 [2]
2013 [3]
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学科主题
物理化学 [2]
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方铅矿、黄铜矿和黄铁矿表面氧化与可浮性研究
学位论文
OAI收割
: 中国科学院大学, 2019
作者:
牛晓鹏
  |  
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2020/06/17
表面氧化,硫化矿,可浮性,关联
Surface-enhanced Raman scattering of dipolar molecules by the graphene Fermi surface modulation with different dipole moments
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2017, 卷号: 425, 页码: 654-662
作者:
Zhang, Mingjia
;
Leng, Yandan
;
Huang, Jing
;
Yu, Jiaojiao
;
Lan, Zhenggang
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2017/12/04
Surface-enhanced Raman Scattering
Graphene
Dipole Moment
Chromophore
Fermi Surface
Geometries and Electronic States of Divacancy Defect in Finite-Size Hexagonal Graphene Flakes
期刊论文
OAI收割
JOURNAL OF CHEMISTRY, 2017
作者:
Liu, Lili
;
Chen, Shimou
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2017/04/07
Femtosecond charge and molecular dynamics of I-containing organic molecules induced by intense X-ray free-electron laser pulses
期刊论文
OAI收割
FARADAY DISCUSSIONS, 2016, 卷号: 194, 页码: 537-562
作者:
Nagaya, K
;
Motomura, K
;
Kukk, E
;
Takahashi, Y
;
Yamazaki, K
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2017/03/02
Quantum Chemical Molecular Dynamics Studies of Bilayer Graphene Growth on a Ni(111) Surface
期刊论文
OAI收割
journal of physical chemistry c, 2015, 卷号: 119, 期号: 22, 页码: 12643-12650
作者:
Jiao,Menggai
;
Li,Kai
;
Wang,Ying
;
Wu,Zhijian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2016/05/12
VAPOR-DEPOSITION GROWTH
HIGH-QUALITY GRAPHENE
LARGE-AREA
LAYER GRAPHENE
DFTB METHOD
STEP-EDGE
CARBON
NUCLEATION
NICKEL
SIMULATIONS
Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: a QM/MD study
期刊论文
OAI收割
scientific reports, 2015, 卷号: 5, 页码: 12091
作者:
Jiao,Menggai
;
Li,Kai
;
Guan,Wei
;
Wang,Ying
;
Wu,Zhijian
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2016/05/06
CHEMICAL-VAPOR-DEPOSITION
MOLECULAR-DYNAMICS
NICKEL CARBIDE
LARGE-AREA
EPITAXIAL GRAPHENE
LAYER GRAPHENE
METAL-SURFACES
HIGH-QUALITY
DFTB METHOD
STEP-EDGE
Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 13, 页码: 6631-6640
作者:
Gao, Xing
;
Geng, Hua
;
Peng, Qian
;
Ren, Jiajun
;
Yi, Yuanping
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/04/09
Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method
期刊论文
OAI收割
computational and theoretical chemistry, 2014, 卷号: 1030, 期号: 1, 页码: 17-24
作者:
Fan, Guo-Hong
;
Li, Xing
;
Liu, Jian-Yong
;
He, Guo-Zhong
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2015/11/16
Excited state
Covalent organic framework
Carrier transport
Luminescence
Dispersion interaction
Interlayer stacking
Time-dependent Density Functional-based Tight-bind Method Efficiently Implemented with OpenMP Parallel and GPU Acceleration
期刊论文
OAI收割
chinese journal of chemical physics, 2013, 卷号: 26, 期号: 6, 页码: 635-645
作者:
Fan, Guo-hong
;
Han, Ke-li
;
He, Guo-zhong
收藏
  |  
浏览/下载:53/0
  |  
提交时间:2015/11/09
Density-functional theory
Tight-binding method
Time-dependent density functional theory
Excited state
Graphical processing unit
Krylov iterative algorithm
Sparse matrix
OpenMP
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method
期刊论文
OAI收割
computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18
作者:
Fan, Guohong
;
Liu, Jianyong
;
He, Guozhong
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2014/09/11
Nonadiabatic dynamics
Photo-isomerization
Zhu-Nakamura theory
Bridged-azobenzene
Time-dependent density functional tight-binding method