scholarly journals Dispersion of non-covalently modified graphene in aqueous medium: a molecular dynamics simulation approach

RSC Advances ◽  
2017 ◽  
Vol 7 (8) ◽  
pp. 4460-4467 ◽  
Author(s):  
Aditya Kulkarni ◽  
Nabaneeta Mukhopadhyay ◽  
Arup R. Bhattacharyya ◽  
Ajay Singh Panwar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Medium ◽  
Electric Potential ◽  
Dynamics Simulation ◽  
Graphene Sheets ◽  
Simulation Approach ◽  
Potential Variation ◽  
Modified Graphene

Electric potential variation between two graphene sheets upon adsorption of Na-AHA molecules.

scholarly journals Distribution and Transport of CO2 in Hydrated Hyperbranched Poly(ethylenimine) Membranes: A Molecular Dynamics Simulation Approach

ACS Omega ◽  
2021 ◽  
Vol 6 (4) ◽  
pp. 3390-3398
Author(s):  
Kyung Il Kim ◽  
Robin Lawler ◽  
Hyun June Moon ◽  
Pavithra Narayanan ◽  
Miles A. Sakwa-Novak ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Hyperbranched Poly
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