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化学研究所 [8]
大连化学物理研究所 [7]
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期刊论文 [52]
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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:38/0
  |  
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:25/0
  |  
提交时间:2024/01/09
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 YY(何雨旸)
;
Gao,Caihong
;
Wei,Wei
;
Liu,Yun
  |  
收藏
  |  
浏览/下载:31/0
  |  
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:38/0
  |  
提交时间:2023/03/31
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Multiscale computational prediction of beta-sheet peptide self-assembly morphology
期刊论文
OAI收割
MOLECULAR SIMULATION, 2020
作者:
Deng, Li
;
Wang, Yanting
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS METHOD
INTERMOLECULAR FORCES
PROTEIN AGGREGATION
NANOMECHANICS
POLYMORPHISM
SIMULATIONS
TRANSITIONS
NANOTUBES
FIBRILS
SOLVENT
Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 181, 页码: -
作者:
Zhang, ZD
;
Ren, CL
;
Tan, ML
;
Yang, YQ
;
Yin, YR
  |  
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2021/09/06
INITIO MOLECULAR-DYNAMICS
SOLVENT SELF-DIFFUSION
AB-INITIO
ALPHA-IRON
FE
VACANCIES
NICKEL
ENERGY
DIFFUSIVITIES
TRANSITION
Biomimetic Sustainable Graphene Ultrafast-Selective Nanofiltration Membranes
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2020, 卷号: 8, 期号: 24, 页码: 8986-8993
作者:
Ding, Jiheng
;
Zhao, Hongran
;
Xu, Beiyu
;
Yu, Haibin
  |  
收藏
  |  
浏览/下载:116/0
  |  
提交时间:2020/12/16
ORGANIC-SOLVENT NANOFILTRATION
OXIDE HYBRID NANOSHEETS
MIXED-MATRIX MEMBRANES
MOLECULAR-SEPARATION
PRECISE
GROWTH
LAYER
Coordination Structures of the Uranyl(VI)-Diamide Complexes: A Combined Mass Spectrometric, EXAFS Spectroscopic, and Theoretical Study
期刊论文
OAI收割
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 9, 页码: 5695—5702
作者:
Chen, XT
;
Li, QN
;
Gong, Y
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2019/12/30
MOLECULAR-ORBITAL METHODS
URANYL-NITRATE
DIGLYCOLAMIDE COMPLEXES
SOLVENT-EXTRACTION
CHEMISTRY
URANIUM
LIGANDS
ION
AM
LANTHANUM(III)
Efficient all-polymer solar cells based on thiazole-bridged middle band-gap polymer donor: The influence of alkyl side chain on polymer-polymer miscibility and photovoltaic performance
期刊论文
OAI收割
SYNTHETIC METALS, 2019, 卷号: 254, 页码: 49-55
作者:
Du, ZR
;
Zhang, YC
;
Yang, CM
;
Wang, XC
;
Zhu, DQ
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/10/16
POWER CONVERSION EFFICIENCY
MOLECULAR-WEIGHT
FULLERENE
OPTIMIZATION
SOLVENT
CRYSTALLINITY
COPOLYMERS
MOBILITY
ACCEPTOR
DESIGN
Microstructure characterization of one high-speed extrusion coating polyethylene resin fractionated by solvent gradient fractionation
期刊论文
OAI收割
JOURNAL OF POLYMER RESEARCH, 2018, 卷号: 25, 期号: 5
作者:
Li, Pei
;
Xue, Yanhu
;
Wu, Xiaoxue
;
Sun, Guangping
;
Ji, Xiangling
  |  
收藏
  |  
浏览/下载:84/0
  |  
提交时间:2019/04/09
Chain Microstructure
Complex Branched
Polyethylene
Solvent Gradient Fractionation
Branching Distribution
Molecular Weight Distribution