Synthesis, Antifungal Activity, DFT Study and Molecular Dynamics Simulation of Novel 4‐(1,2,4‐Oxadiazol‐3‐yl)‐N‐(4‐phenoxyphenyl)benzamide Derivatives

2021 ◽  
Author(s):  
Zihui Yang ◽  
Qingsong Liu ◽  
Yue Sun ◽  
Xuebao Sun ◽  
Linlin Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Antifungal Activity ◽  
Dynamics Simulation ◽  
Dft Study ◽  
Benzamide Derivatives

scholarly journals Geometry transformation of ionic surfactants and adsorption behavior on water/n-decane-interface: calculation by molecular dynamics simulation and DFT study

RSC Advances ◽  
2021 ◽  
Vol 11 (45) ◽  
pp. 28286-28294
Author(s):  
Wannian Zhang ◽  
Ming-Yuan Zhang ◽  
Kai Wang ◽  
Ruixia Sun ◽  
Shanlin Zhao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Conformational Change ◽  
Weak Interactions ◽  
Adsorption Behavior ◽  
Dynamics Simulation ◽  
Dft Study ◽  
Ionic Surfactants ◽  
Interface Properties ◽  
The Difference

The difference of weak interactions may contribute to the conformational change and finally affect the interface properties of these ionic surfactants.

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