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Manuscript title: Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate Clusters

Journal: J. Phys. Chem. A

Metadata:

Title: supporting_material
Authors: Khatun, Maya
Issue Date: 18-Feb-2023
Publisher: Barcelona Supercomputing Center
Description: sample orca input and output file, dataset, csv bond length and energy property
URI: https://iochem-bd.bsc.es/browse/handle/100/275455
Appears in Collections:ausr - DOI: 10.19061/iochem-bd-6-212

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