MD trajectories for C projectiles through water (related to J. Johanoff and E. Artacho, PLOS-ONE, 2017)
Repository URI
Repository DOI
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Dataset
Change log
Authors
Kohanoff, J
Description
Trajectories obtained from first principles molecular dynamics of carbon projectiles crossing a thin film of water, for low energies (initial kinetic energies below 3 keV)
Version
Software / Usage instructions
SIESTA (DFT program)
http://www.siesta-project.org
Keywords
Molecular dynamics, First principles, Density functional theory, water, radiolysis
