13C pNMR shifts of MOFs based on Cu(II)-paddlewheel dimers - DFT predictions for spin-½ defects (dataset)

Edoardo Fusco (Creator)
Sharon E. Ashbrook (Contributor)
Michael Buehl (Creator)

Dataset

Description

Computatational data (inputs and outputs)

Date made available	8 Nov 2023
Publisher	University of St Andrews

Contact

[email protected]

DOI
10.17630/f9ce99be-957f-43d4-b289-d6654b2a9323

Access Dataset

paper_defect.zip
File: application/zip, 508 MB
Type: Dataset
Licence: CC BY
pubEdoardo_MOFDefect_CalcData_README.txt
File: text/plain, 1.55 KB
Type: Text
Licence: CC BY

1 Article

¹³C pNMR shifts of MOFs based on Cu(II)-paddlewheel dimers - DFT predictions for spin-½ defects
Fusco, E., Ashbrook, S. E. & Buehl, M., 14 Dec 2023, In: Physical Chemistry Chemical Physics. 25, 46, p. 31898-31906 9 p.
Research output: Contribution to journal › Article › peer-review

Open Access
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