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Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides
期刊论文
CHEMICAL ENGINEERING SCIENCE, 2024, 卷号: 285, 页码: 12
作者:
Zhu, Bojin
;
Li, Zhen
;
Han, Tiankun
;
Yan, Youguo
;
Li, Jiawei
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/04/07
Asphaltene dispersibility
Crude oil viscosity
Molecular dynamics simulation
Density function theory calculation
Improved Quantum-Classical Treatment of N
2
-N
2
Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
作者:
Hong QZ(洪启臻)
;
Storchi, Loriano
;
Sun QH(孙泉华)
;
Bartolomei, Massimiliano
;
Pirani, Fernando
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  |  
浏览/下载:7/0
  |  
提交时间:2024/01/22
Shape optimization of a meniscus-adherent nanotip
期刊论文
NANOSCALE, 26, 2023, 卷号: 15, 页码: 11099-11106
作者:
Tian SH(田诗豪)
;
Chen XD(陈旭东)
;
Yuan QZ(袁泉子)
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  |  
浏览/下载:9/0
  |  
提交时间:2023/07/17
Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 45, 页码: 27751-27758
作者:
Zhang, Jun
;
Wang, Yining
;
Wang, Junfeng
;
Yan, Youguo
;
Li, Jiawei
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  |  
浏览/下载:24/0
  |  
提交时间:2023/01/04
Role of an Ice Surface in the Photoreaction of Coumarins
期刊论文
LANGMUIR, 2022, 卷号: 38, 期号: 37, 页码: 11346-11353
作者:
Zhang, Shizhong
;
Zhang, Chuanbiao
;
Fu, Yang
;
Li, Linhai
;
Huang, Chuanbing
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  |  
浏览/下载:18/0
  |  
提交时间:2023/01/16
SINGLE-CRYSTALS
CHEMISTRY
WATER
PHOTOCHEMISTRY
CYCLOADDITION
ADSORPTION
REACTIVITY
CHLORIDE
COMPLEX
LIGHT
Bionic-immobilized recombinant lipase obtained via bio-silicification and its catalytic performance in biodiesel production
期刊论文
FUEL, 2021, 卷号: 304, 页码: 11
作者:
Zhang, Jun
;
Chen, Xiaoyan
;
Lv, Pengmei
;
Luo, Wen
;
Wang, Zhiyuan
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  |  
浏览/下载:76/0
  |  
提交时间:2021/10/27
Lipase
Bionic-immobilization
Biodiesel
Bio-silicification
Molecular dynamics simulation
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:27/0
  |  
提交时间:2021/08/31
Ionic liquids
Zwitterionic amino acid
Interaction and mechanism
Hydrogen bond effect
Van der Weals effect
Exploring the structural transition mechanisms of a pair of poly(N-isopropylacrylamide) chains in aqueous solution through coarse-grained molecular simulations coupled with metadynamics
期刊论文
MOLECULAR SIMULATION, 2021, 页码: 10
作者:
Yang, Xue-Dan
;
Chen, Wei
;
Ren, Ying
;
Chu, Liang-Yin
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  |  
浏览/下载:31/0
  |  
提交时间:2021/03/29
Poly(N-isopropylacrylamide)
Coarse-grained molecular dynamics
free energy
metadynamics
Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 322, 页码: 9
作者:
Zheng, Yan-Zhen
;
Zhou, Yu
;
He, Hong-Yan
;
Guo, Rui
;
Chen, Da-Fu
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/03/29
Ionic liquids
Acetonitrile
Hydrogen-bond
Density functional theory
Infrared spectroscopy
Excess spectra
Excess spectroscopy and its applications in the study of solution chemistry
期刊论文
PURE AND APPLIED CHEMISTRY, 2020, 卷号: 92, 期号: 10, 页码: 1611-1626
作者:
Zhang, Yaqin
;
Wu, Zhiwei
;
Wang, Yaqian
;
He, Hongyan
;
Yu, Zhiwu
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/03/29
excess spectroscopy
hydrogen bond
ICSC-36
ionic liquid
micro heterogeneity
solution structure
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