data_diffusion.tar
Published in Figshare • Jan 1, 2020
NobleIDNI1P60W86R88S94
Authors:
Tremblay
Abstract
Archive containing TURBOMOLE input/output files as well as AOMIX files for the diffusion of a copper dimer on a MgO(001) surface. Python scripts for postprocessing the quantum chemistry data using ORBKIT and VMD visualization states are also included.
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