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浏览/检索结果:
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Towards fully ab initio simulation of atmospheric aerosol nucleation
期刊论文
NATURE COMMUNICATIONS, 2022, 卷号: 13
作者:
Jiang, Shuai
;
Liu, Yi-Rong
;
Huang, Teng
;
Feng, Ya-Juan
;
Wang, Chun-Yu
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浏览/下载:25/0
  |  
提交时间:2022/12/23
Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
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  |  
浏览/下载:18/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
Multicomponent nucleation of malonic acid involved in the sulfuric acid-dimethylamine system and its atmospheric implications
期刊论文
ATMOSPHERIC ENVIRONMENT, 2021, 卷号: 267
作者:
Wang, Zhong-Quan
;
Liu, Yi-Rong
;
Wang, Chun-Yu
;
Jiang, Shuai
;
Feng, Ya-Juan
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  |  
浏览/下载:90/0
  |  
提交时间:2021/11/15
Nucleation mechanism
Proton transfer
Evaporation rate
Atmospheric relevance
Discovery of a Novel Androgen Receptor Antagonist Manifesting Evidence to Disrupt the Dimerization of the Ligand-Binding Domain via Attenuating the Hydrogen-Bonding Network Between the Two Monomers
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64
作者:
Fu, Weitao
;
Zhang, Minkui
;
Liao, Jianing
;
Tang, Qing
;
Lei, Yixuan
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  |  
浏览/下载:54/0
  |  
提交时间:2022/03/21
Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 10
作者:
Wu, Zhiwei
;
Ding, Weilu
;
Zhang, Yaqin
;
Wang, Yanlei
;
He, Hongyan
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  |  
浏览/下载:24/0
  |  
提交时间:2021/08/31
Ionic liquids
Zwitterionic amino acid
Interaction and mechanism
Hydrogen bond effect
Van der Weals effect
Mechanistic insight into morphological transition of Pluronic aggregates in aqueous solution via tuning hydrogen bonding strength
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 333, 页码: 9
作者:
Luo, Haiyan
;
Jiang, Kun
;
Wang, Xiaotian
;
Liang, Xiangfeng
;
Liu, Huizhou
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  |  
浏览/下载:41/0
  |  
提交时间:2021/08/31
Morphology
Block copolymer
Hydrogen bonding
Strength
Mechanism
Molecular dynamic simulation for studying transport characteristics of confined water between sandwiched albite-quartz systems under cyclic thermal-mechanical couplings
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 9
作者:
Wang, Junxia
;
Gao, Kaifeng
;
Ren, Weizhong
;
Yan, Shilin
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浏览/下载:97/0
  |  
提交时间:2021/05/25
Molecular dynamic simulation
Transport properties
Sandwiched albite-quartz system
Cyclic thermal-mechanical couplings
Rock weathering
Spontaneous assembly of microbial extracellular polymeric substances into microcapsules involved in trapping and immobilizing degradation-resistant oxoanions
期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 758
作者:
Wang, Qian
;
Chen, Kai
;
Huang, Shuhan
;
Zhu, Xuezhu
;
Kang, Fuxing
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  |  
浏览/下载:5/0
  |  
提交时间:2022/03/10
Effect of H on the formation of vacancy dislocation loops in alpha-Fe
期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2020, 卷号: 542
作者:
Pan, Xin-Dong
;
Lu, Tao
;
Lyu, Yi-Ming
;
Xu, Yu-Ping
;
Zhou, Hai-Shan
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  |  
浏览/下载:79/0
  |  
提交时间:2020/12/28
Hydrogen
alpha-Fe
Vacancy cluster
Dislocation loop
Molecular dynamics
Strong sequentially bridged MXene sheets
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 44, 页码: 27154-27161
作者:
Wan, Sijie
;
Li, Xiang
;
Wang, Yanlei
;
Chen, Ying
;
Xie, Xi
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  |  
浏览/下载:139/0
  |  
提交时间:2021/02/02
MXene
interface interactions
mechanical properties
electromagnetic interference shielding
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