Research data for: Ab initio electronic structure calculations of single-molecule magnets; a practical guide

Nicholas Chilton (Creator)

Computational and Theoretical Chemistry

Dataset

Description

These data files are the input and output files for a tutorial calculation performed in the associated tutorial review paper.

Date made available	2 Sept 2025
Publisher	University of Manchester Figshare

Keywords

magnetism
CASSCF

DOI
10.48420/30028195

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