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Li, Hui
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Density functional theory
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Author:
Li, Hui
Suggested Topics:
Density functional theory
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Density functional theory
Triptycene
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2D materials
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Anode materials
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Bevel gear
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First principles
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Gear rotation
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Gear slippage
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Host–guest
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Molecular tweezers
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Na-ion batteries
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Noncovalent interactions
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Oxacalixarene
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Switchable tweezers
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Terpyridine
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Tryptophan
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Zn(II) salphen-crown ether complex
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Theoretical design and rotational conformation analysis of molecular bevel gear with triptycene as rotator
by:
Jia, Zishang
Published in:
Theoretical chemistry accounts
(2020)
lizenzpflichtig
electronic Article
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Theoretical study of switching characteristics of molecular tweezers based on bis(Zn-salphen)
by:
Li, Hui
Published in:
Journal of molecular modeling
(2020)
lizenzpflichtig
electronic Article
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Two-dimensional $ Si_{3} $C: a promising high-capacity anode material for sodium-ion batteries
by:
Gao, Caihong
Published in:
Theoretical chemistry accounts
(2020)
lizenzpflichtig
electronic Article
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Theoretical study on noncovalent interaction of molecular tweezers by Zn(II) salphen-azo-crown ether triads receptor
by:
Li, Hui
Published in:
Journal of molecular modeling
(2020)
lizenzpflichtig
electronic Article
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A density functional theory study on complexation processes and intermolecular interactions of triptycene-derived oxacalixarenes
by:
Jia, Zishang
Published in:
Theoretical chemistry accounts
(2019)
lizenzpflichtig
electronic Article
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FIV
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electronic Article
5
Author
Li, Hui
Jia, Zishang
4
Wang, Xueye
4
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Duan, Qian
1
Gao, Caihong
1
Guan, Qiuping
1
Hou, Jianhua
1
Jiang, Dayong
1
Pang, Hongdi
1
Zhang, Xinyu
1
Zheng, Xin
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English
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