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大连化学物理研究所 [7]
高能物理研究所 [4]
上海硅酸盐研究所 [3]
北京大学 [2]
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期刊论文 [28]
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2017 [29]
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Enhanced removal of roxarsone by fe3o4@3d graphene nanocomposites: synergistic adsorption and mechanism
期刊论文
Environmental science-nano, 2017, 卷号: 4, 期号: 11, 页码: 2134-2143
作者:
Tian, Chen
;
Zhao, Jian
;
Zhang, Jing
;
Chu, Shengqi
;
Dang, Zhi
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2019/04/23
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177
作者:
Zhou, Min
;
Hu, Ying
;
Liu, Jian-chuan
;
Cheng, Ke
;
Jia, Guo-zhu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2017/12/20
Molecular dynamics
Carbon nanotubes
Diffusivity
Hydrogen bonding
Hydrogen bonding and transportation properties of water confined in the single-walled carbon nanotube in the pulse-field
期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 686, 页码: 173-177
作者:
Hu, Ying
;
Zhou, Min
;
Liu, Jian-chuan
;
Cheng, Ke
;
Jia, Guo-zhu
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2017/12/20
Molecular dynamics
Carbon nanotubes
Diffusivity
Hydrogen bonding
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
期刊论文
NANO LETTERS, 2017, 卷号: 17, 期号: 10, 页码: 6435-6442
作者:
Zheng, Qijing
;
Saidi, Wissam A.
;
Xie, Yu
;
Lan, Zhenggang
;
Prezhdo, Oleg V.
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  |  
浏览/下载:144/0
  |  
提交时间:2017/12/04
Van Der Waals Heterointeiface
Nonadiabatic Molecular Dynamics
Ultrafast Charge Transfer
Experimental and computational insights on the recognition mechanism between the estrogen receptor alpha with bisphenol compounds
期刊论文
ARCHIVES OF TOXICOLOGY, 2017, 卷号: 91, 期号: 12, 页码: 3897-3912
作者:
Song, Maoyong
;
Cao, Huiming
;
Wang, Fengbang
;
Liang, Yong
;
Wang, Hailin
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  |  
浏览/下载:15/0
  |  
提交时间:2018/07/26
Estrogen Receptor Alpha
Bisphenols
Estrogenic Activity
Molecular Dynamics Simulations
Covalent-bonding to irreducible SiO2 leads to high-loading and atomically dispersed metal catalysts
期刊论文
JOURNAL OF CATALYSIS, 2017, 卷号: 353, 页码: 315-324
作者:
Wen, Xiaodong
;
You, Rui
;
Zheng, Hongyan
;
Zhang, Bin
;
Li, Yong-Wang
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  |  
浏览/下载:24/0
  |  
提交时间:2017/12/19
Heterogeneous catalysis
Hydrogenation
Metal oxides
Covalent bonding
Silica
SiO2
A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008
作者:
Song, Nahong
;
Yang, Dapeng
;
Zhao, Jinfeng
;
Yang, Guang
;
Zheng, Rui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/19
Hydrogen bond
Frontier molecular orbitals
ESIPT
Potential energy surface
A theoretical study about excited state behaviour for imide compound N-cyclohexyl-3-hydroxyphthalimide and 3,6-dihydroxy-N-cyclohexylphthalimide
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 241, 页码: 1003-1008
作者:
Yang, Dapeng
;
Zhao, Jinfeng
;
Yang, Guang
;
Song, Nahong
;
Zheng, Rui
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2017/12/19
Hydrogen bond
Frontier molecular orbitals
ESIPT
Potential energy surface
Covalent-bonding to irreducible SiO2 leads to high-loading and atomically dispersed metal catalysts
期刊论文
JOURNAL OF CATALYSIS, 2017, 卷号: 353, 页码: 315-324
作者:
Zhu, Yulei
;
Zhu, Yifeng
;
Kong, Xiao
;
Yin, Junqing
;
You, Rui
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/19
Heterogeneous catalysis
Hydrogenation
Metal oxides
Covalent bonding
Silica
SiO2
High-pressure phases of a s-based compound: dimethyl sulfide
期刊论文
Journal of physical chemistry a, 2017, 卷号: 121, 期号: 32, 页码: 5983-5990
作者:
Qin, Zhenxing
;
Zhan, Xiaozhi
;
Zhang, Qingmei
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  |  
浏览/下载:19/0
  |  
提交时间:2019/04/23
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