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科研机构
山东大学 [74]
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期刊论文 [73]
会议论文 [1]
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2019 [5]
2018 [2]
2017 [1]
2016 [1]
2015 [1]
2014 [4]
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共74条,第1-10条
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专题:山东大学
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Quantum Chemical and Kinetic Study on Radical/Molecule Formation Mechanism of Pre-Intermediates for PCTA/PT/DT/DFs from 2-Chlorothiophenol and 2-Chlorophenol Precursors
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 7
作者:
Zuo, Chenpeng
;
Wang, Hetong
;
Pan, Wenxiao
;
Zheng, Siyuan
;
Xu, Fei
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/11
PCTA
PT
DTs
formation mechanism
radical
molecule coupling
density
functional theory
rate constant
In-depth probe of researching interfacial charge transfer process for organic solar cells: A promising bisadduct fullerene derivatives acceptor
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 15
作者:
Li, Ming-Yang
;
Yin, Hang
;
Sui, Ming-Yue
;
Wang, Fei
;
Liu, Yan-Hui
收藏
  |  
浏览/下载:107/0
  |  
提交时间:2019/12/11
bisadduct fullerene derivatives
charge transfer
density functional
theory
donor
acceptor interface
heterojunction organic solar cells
Antibacterial Thin-Film Nanocomposite Membranes Incorporated with Graphene Oxide Quantum Dot-Mediated Silver Nanoparticles for Reverse Osmosis Application
期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: 7, 期号: 9, 页码: 8724-8734
作者:
Yu, Li
;
Zhou, Wen
;
Li, Yiming
;
Zhou, Quanzhu
;
Xu, Haibo
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/12/11
Graphene oxide quantum dot
Silver nanoparticles
Thin-film
nanocomposite
Reverse osmosis
Biofouling mitigation
Intriguing electric field effect on magnetic spin couplings in dielectron clathrate hydrates
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 13
作者:
Luo, Qi
;
Bu, Yuxiang
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/11
density functional theory calculation
dielectron clathrate hydrate
cluster
electric field effect
magnetic spin coupling
through
electron-permeating H-bond coupling channel
Relativistic quantum kinetic theory for massive fermions and spin effects
期刊论文
PHYSICAL REVIEW D, 2019, 卷号: 100, 期号: 5
作者:
Gao, Jian-Hua
;
Liang, Zuo-Tang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Mixed Quantum/Classical Method for Nonadiabatic Quantum Dynamics in Explicit Solvent Models: The pi pi*/n pi* Decay of Thymine in Water as a Test Case
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 2, 页码: 820-832
作者:
Cerezo, Javier
;
Liu, Yanli
;
Lin, Na
;
Zhao, Xian
;
Improta, Roberto
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
Intriguing diaza effects on magnetic coupling characteristics in diaza-benzo[k]tetraphene-bridged nitroxide diradicals
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 18
作者:
Zhang, Fengying
;
Luo, Qi
;
Song, Xiufang
;
Song, Xinyu
;
Bu, Yuxiang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/11
benzo[k]tetraphene-based magnet design
counterion effect
density
functional theory calculations
diaza-positional effect
redox
regulation
Quantitative coherence witness for finite dimensional states
期刊论文
ANNALS OF PHYSICS, 2017, 卷号: 387, 页码: 281-289
作者:
Ren, Huizhong
;
Lin, Anni
;
He, Siying
;
Hu, Xueyuan
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/12
Quantum coherence
Resource theory
Performance of density functional theory on the anisotropic halogen center dot center dot center dot halogen interactions and potential energy surface: Problems and possible solutions
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 期号: 9, 页码: 710-717
作者:
Liu, Fang
;
Du, Likai
;
Zhang, Dongju
;
Gao, Jun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/17
potential energy surface
halogen center dot center dot center dot
halogen interactions
density functional theory
anisotropic distortion
benchmark studies
Theoretical mechanism for selective catalysis of ruthenium complex catalyzed hydroboration of terminal alkynes to z-vinylboronates
期刊论文
International Journal of Quantum Chemistry, 2015, 卷号: 115, 期号: 2, 页码: 59-67
作者:
Sun C.
;
Liu M.
;
Sun H.
;
Hang F.
;
Sun N.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/17
Density functional theory
Hydroboration
Selective catalysis ruthenium complex
Vinylboronate products
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