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科研机构
过程工程研究所 [150]
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期刊论文 [114]
学位论文 [35]
会议论文 [1]
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2021 [12]
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Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
作者:
Tang, Yujie
;
Zheng, Mo
;
Ren, Chunxing
;
Li, Xiaoxia
;
Guo, Li
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/08/31
ReaxFF MD
Regional reaction tracking
Physical property
Visualization
Photochemical Synthesis of Nonplanar Small Molecules with Ultrafast Nonradiative Decay for Highly Efficient Phototheranostics
期刊论文
ADVANCED MATERIALS, 2021, 页码: 10
作者:
Li, Xiaozhen
;
Zhang, Di
;
Lu, Guihong
;
He, Tingchao
;
Wan, Yingpeng
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2021/08/31
molecular motion
nonplanar small molecules
photoacoustic imaging
photochemical reaction
photothermal therapy
Insight of Synergistic Effect between CPP and Cargo on the Facilitation Mechanisms of R7-PTX Translocation: Experiments and Molecular Simulations
期刊论文
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2021, 卷号: 161, 页码: 9
作者:
Wei, Yuping
;
Zhang, Caiying
;
Zhang, Man
;
Niu, Qionghong
;
Hui, Fengli
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2021/08/31
Cell penetrating peptide
Molecular dynamic simulation
Synergistic effect
Direct translocation
Endocytosis
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics
期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 156, 页码: 9
作者:
Gao, Mingjie
;
Li, Xiaoxia
;
Guo, Xin
;
Chen, Lei
;
Sun, Laizhi
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/08/31
ReaxFF molecular dynamics simulation
Coal pyrolysis
Organic oxygen
Evolution trend
Migration mechanism
Cost-effective purification process development for chimeric hepatitis B core (HBc) virus-like particles assisted by molecular dynamic simulation
期刊论文
ENGINEERING IN LIFE SCIENCES, 2021, 页码: 15
作者:
Zhang, Bingyang
;
Yin, Shuang
;
Wang, Yingli
;
Su, Zhiguo
;
Bi, Jingxiu
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2021/08/31
hepatitis B core
molecular dynamic simulation
protein characterization
protein purification
virus‐
like particle
Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics
期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 155, 页码: 11
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Guo, Li
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/08/31
Char
soot precursors
Secondary reactions
Large-scale ReaxFF MD simulation
Tar radicals
Competitive reactions
Tunable Triplet-Mediated Multicolor Lasing from Nondoped Organic TADF Microcrystals
期刊论文
NANO LETTERS, 2021, 卷号: 21, 期号: 7, 页码: 3287-3294
作者:
Li, Yuan
;
Wang, Kai
;
Liao, Qing
;
Fu, Liyuan
;
Gu, Chunling
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/08/31
TADF
microcrystal
microlaser
wavelength tunability
multicolor laser
Rapid and high-capacity loading of IgG monoclonal antibodies by polymer brush and peptides functionalized microspheres
期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2021, 卷号: 1640, 页码: 10
作者:
Hao, Dongxia
;
Zhang, Rongyue
;
Ge, Jia
;
Ye, Peili
;
Song, Cui
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2021/08/31
Antibody purification
Peptide ligand
Polymer brush
Macroporous microspheres
Molecular Simulations on Tuning the Interlayer Spacing of Graphene Nanoslits for C4H6/C4H10 Separation
期刊论文
ACS APPLIED NANO MATERIALS, 2021, 卷号: 4, 期号: 2, 页码: 1994-2001
作者:
Xu, Yinxiang
;
Hu, Zhufeng
;
Liu, Zhongbin
;
Zhu, Huajian
;
Yan, Yishu
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/08/31
C4H6/C4H10 separation
interlayer spacing
graphene slit
adsorption
diffusion
molecular dynamics simulations
Performance of agarose and gigaporous chromatographic media as function of pore-to-adsorbate size ratio over wide span from ovalbumin to virus like particles
期刊论文
JOURNAL OF CHROMATOGRAPHY A, 2021, 卷号: 1638, 页码: 12
作者:
Yang, Yanli
;
Yu, Mengran
;
Ma, Guanghui
;
Su, Zhiguo
;
Zhang, Songping
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2021/03/29
Pore size
Protein size
Ion-exchange media
Ratio of pore-to-adsorbate size
Adsorption capacity
Adsorption kinetics
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