Research data for "An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets"

Dataset

Description

All research data for the paper "An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets". Contains: atomic coordinates, spin-phonon coupling parameters, input/output files for calculations.
Date made available13 Sept 2022
PublisherUniversity of Manchester Figshare

Keywords

  • Computational Chemistry

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