Adsorption of a Polyaromatic Compound on Silica Surfaces from Organic Solvents Studied by Molecular Dynamics Simulation and AFM Imaging

2017 ◽  
Vol 121 (9) ◽  
pp. 5020-5028 ◽  
Author(s):  
Yong Xiong ◽  
Tiantian Cao ◽  
Qian Chen ◽  
Zhen Li ◽  
Yue Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Organic Solvents ◽  
Dynamics Simulation ◽  
Silica Surfaces ◽  
Afm Imaging

scholarly journals Synergistic Adsorption of Polyaromatic Compounds on Silica Surfaces Studied by Molecular Dynamics Simulation

2018 ◽  
Vol 122 (8) ◽  
pp. 4290-4299 ◽  
Author(s):  
Yong Xiong ◽  
Zhen Li ◽  
Tiantian Cao ◽  
Shengming Xu ◽  
Shiling Yuan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Silica Surfaces

scholarly journals Molecular Dynamics Simulation of Organic Solvents Based on the Coarse-Grained Model

2011 ◽  
Vol 27 (08) ◽  
pp. 1839-1846 ◽  
Author(s):  
XU Pei-Jun ◽  
◽  
TANG Yuan-Yuan ◽  
ZHANG Jing ◽  
ZHANG Zhi-Bo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Organic Solvents ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Coarse Grained Model

Molecular mechanism of enzyme tolerance against organic solvents: Insights from molecular dynamics simulation

2019 ◽  
Vol 122 ◽  
pp. 914-923 ◽  
Author(s):  
Mahnaz Mohtashami ◽  
Jamshid Fooladi ◽  
Aliakbar Haddad-Mashadrizeh ◽  
Mohammad Reza Housaindokht ◽  
Hassan Monhemi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Mechanism ◽  
Organic Solvents ◽  
Dynamics Simulation
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