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MD trajectories for C projectiles through water (related to J. Johanoff and E. Artacho, PLOS-ONE, 2017)


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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

Publisher

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