scholarly journals Molecular dynamics simulation of the transport of small molecules across a polymer membrane

1992 ◽  
Vol 96 (6) ◽  
pp. 4699-4704 ◽  
Author(s):  
R. M. Sok ◽  
H. J. C. Berendsen ◽  
W. F. van Gunsteren
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Small Molecules ◽  
Polymer Membrane ◽  
Dynamics Simulation

Ab Initio Molecular Dynamics Simulation of Proton Hopping in a Model Polymer Membrane

2013 ◽  
Vol 117 (51) ◽  
pp. 16522-16529 ◽  
Author(s):  
Ram Devanathan ◽  
Nagesh Idupulapati ◽  
Marcel D. Baer ◽  
Christopher J. Mundy ◽  
Michel Dupuis
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Polymer Membrane ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics
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