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Chinese Academy of Sciences Institutional Repositories Grid
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Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods
期刊论文
OAI收割
CHINESE CHEMICAL LETTERS, 2024, 卷号: 35, 期号: 2, 页码: 6
作者:
Zhu, Yingli
;
Qian, Jie
;
Yu, Kunqian
;
Hou, Jing
;
Ma, Yeshuo
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2024/01/26
Theranostic probe
Artificial intelligence
Conformational restriction
Fluorescence restoration
Design strategy
Construction of a high-performance anti-corrosion epoxy coating in the presence of poly(aniline-co-pyrrole) nanospheres
期刊论文
OAI收割
REACTIVE & FUNCTIONAL POLYMERS, 2024, 卷号: 194, 页码: 15
作者:
Mirzaee, Majid
;
Kianpour, Effat
;
Rashidi, Alimorad
;
Rahimi, Alireza
;
Pourhashem, Sepideh
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/04/07
Poly(aniline
co -pyrrole) Nanospheres
Epoxy
Nanocomposite coatings
Corrosion protection
Promoted Raney Ni catalyzed hydrodefluorination of fluorophenols under mild conditions via controlling solvents and bases
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 475, 页码: 10
作者:
Li, Haiyan
;
Gong, Xutao
;
Li, Tong
;
Liu, Sujing
;
Liu, Ying
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/01/26
4-Fluorophenol
Hydrodefluorination (HDF)
Raney Ni
Fluoroaromatic compound (FAC)
Solvent
Base
Preparation of Mechanically Stable Superamphiphobic Coatings via Combining Phase Separation of Adhesive and Fluorinated SiO2 for Anti-Icing
期刊论文
OAI收割
Nanomaterials, 2023, 期号: 13, 页码: 1872
作者:
Wei, Jinfei
;
Liang, Weidong
;
Zhang, Junping
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/10/31
superamphiphobicity
adhesive
mechanical stability
anti-icing
phase separation
Solvent-Free Loading of Vitamin A Palmitate into beta-Cyclodextrin Metal-Organic Frameworks for Stability Enhancement
期刊论文
OAI收割
AAPS PHARMSCITECH, 2023, 卷号: 24, 期号: 5, 页码: 11
作者:
Zhang, Ying
;
Chen, Jiacai
;
Zhang, Zaiyong
;
Zhu, Huajie
;
Ma, Wuzhen
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/10/17
metal-organic frameworks
molecular modeling
solvent-free
stability enhancement
vitamin A palmitate
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/01/08
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/01/09
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Flattening Grain Boundary Grooves for Perovskite Solar Cells with High Optomechanical Reliability
期刊论文
OAI收割
ADVANCED MATERIALS, 2023
作者:
Hao, Mingwei
;
Duan, Tianwei
;
Ma ZW(马知未)
;
Ju, MingGang
;
Bennett, JosephA.
  |  
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2023/04/20
grain boundary grooves
interface modification
microstructural characteristics
optomechanical reliability
perovskite solar cells
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He YY(何雨旸)
;
Gao,Caihong
;
Wei,Wei
;
Liu,Yun
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/03/31
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition