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过程工程研究所 [5]
兰州理工大学 [3]
金属研究所 [3]
上海药物研究所 [2]
新疆理化技术研究所 [1]
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期刊论文 [14]
会议论文 [1]
学位论文 [1]
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2020 [16]
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Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 12, 页码: 6242-6250
作者:
Abula, Amina
;
Xu, Zhijian
;
Zhu, Zhengdan
;
Peng, Cheng
;
Chen, Zhaoqiang
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/05/24
The structure and hydrogen-bond properties of N-alkyl-N-methyl-pyrrolidinium bis(trifluoromethylsulfonyl)imide and DMSO mixtures
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 48, 页码: 28021-28031
作者:
Zheng, Yan-Zhen
;
Chen, Hong
;
Zhou, Yu
;
Geng, Deng
;
He, Hong-Yan
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2021/03/29
Towards the understanding of acetonitrile suppressing salt precipitation mechanism in a water-in-salt electrolyte for low-temperature supercapacitors
期刊论文
Journal of Materials Chemistry A, 2020, 卷号: 8, 期号: 35, 页码: 17998-18006
作者:
Sun, Yinglun
;
Wang, Yue
;
Liu, Lingyang
;
Liu, Bao
;
Zhang, Qingnuan
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2020/11/14
Acetonitrile
Capacitance
Chlorine compounds
Electrolytes
Negative ions
Positive ions
Precipitation (chemical)
Sodium compounds
Solvents
Supercapacitor
Temperature
Experimental analysis
Hybrid electrolytes
Performance degradation
Salt precipitation
Solvation structure
Temperature resistances
Theoretical simulation
Ultra low temperatures
Towards the understanding of acetonitrile suppressing salt precipitation mechanism in a water-in-salt electrolyte for low-temperature supercapacitors
会议论文
作者:
Sun, Yinglun
;
Wang, Yue
;
Liu, Lingyang
;
Liu, Bao
;
Zhang, Qingnuan
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/12/18
Acetonitrile
Capacitance
Chlorine compounds
Electrolytes
Negative ions
Positive ions
Precipitation (chemical)
Sodium compounds
Solvents
Supercapacitor
TemperatureExperimental analysis
Hybrid electrolytes
Performance degradation
Salt precipitation
Solvation structure
Temperature resistances
Theoretical simulation
Ultra low temperatures
Towards the understanding of acetonitrile suppressing salt precipitation mechanism in a water-in-salt electrolyte for low-temperature supercapacitors
期刊论文
Journal of Materials Chemistry A, 2020, 卷号: 8, 期号: 35, 页码: 17998-18006
作者:
Sun, Yinglun
;
Wang, Yue
;
Liu, Lingyang
;
Liu, Bao
;
Zhang, Qingnuan
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2022/02/17
Acetonitrile
Capacitance
Chlorine compounds
Electrolytes
Negative ions
Positive ions
Precipitation (chemical)
Sodium compounds
Solvents
Supercapacitor
Temperature
Experimental analysis
Hybrid electrolytes
Performance degradation
Salt precipitation
Solvation structure
Temperature resistances
Theoretical simulation
Ultra low temperatures
Comparative study on the adsorption behaviors of O and Cl on Fe(110) surfaces with different Cr content
期刊论文
MATERIALS TODAY COMMUNICATIONS, 2020, 卷号: 24, 页码: 8
作者:
Yin, Xiaoran
;
Wang, Haitao
;
Sun, Sheng
;
Han, En-Hou
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/02/02
Oxygen adsorption
Cl-induced corrosion
Cr doping
Implicit solvation model
Joint density functional theory
乙肝核心病毒样颗粒稳定性的分子动力学模拟研究
学位论文
: 中国科学院大学, 2020
作者:
马艳艳
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  |  
浏览/下载:17/0
  |  
提交时间:2021/09/07
Hbc-vlps,分子动力学模拟,介电常数,Mm-pbsa,结合自由能
Effect of Clusters on [Li] Solvation and Transport in Mixed Organic Compound/Ionic Liquid Electrolytes under External Electric Fields
期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2020, 卷号: 59, 期号: 24, 页码: 11308-11316
作者:
Tan, Xin
;
Wang, Yanlei
;
Zhang, Yaqin
;
Wang, Meichen
;
Huo, Feng
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2020/09/22
SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2020, 卷号: 34, 期号: 5, 页码: 589-600
作者:
Sun, Zhaoxi
;
He, Qiaole
;
Li, Xiao
;
Zhu, Zhengdan
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2020/07/01
Free energy calculation
Binding pose
Binding affinity
Spherical coordinates
SAMPL6
Nanocrystal facet modulation to enhance transferrin binding and cellular delivery
期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 1-9
作者:
Qi, Yu
;
Zhang, Tong
;
Jing, Chuanyong
;
Liu, Sijin
;
Zhang, Chengdong
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/09/14
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