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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-212
This dataset derived results are published in:
Manuscript title: Performance of Density Functionals and Semiempirical 3c Methods for Small Gold-Thiolate Clusters
Journal: J. Phys. Chem. A
- 1 RHF
- 1 RI-SCS-MP2
- 1 Orca