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Title: Simulation Files for Organic Contaminants and Atmospheric Nitrogen at the Graphene–Water Interface
Abstract
<p>This data set provides files needed to run the simulations described in the manuscript entitled &#34;Organic contaminants and atmospheric nitrogen at the graphene–water interface: A simulation study&#34; using theMore>>
Creator(s):
; ;
Publisher:
Zenodo
Publication Year:
NSF-PAR ID:
10343234
Subject(s):
molecular dynamics NAMD graphite graphene adsorption contamination alkanes graphite-water interface graphene-water interface ABF adaptive biasing force Colvars self-assembly GCMC grand canonical Monte Carlo LAMMPS
Version:
1.0
Award ID(s):
1945589
Sponsoring Org:
National Science Foundation
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