DFT computational data - Excel spreadsheet

DOI: 10.14469/hpc/12075 Metadata

Created: 2022-12-21 12:12

Last modified: 2022-12-21 13:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Excel spreadsheet showing calculations and modelled pathways, including functional screens.

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Access code: 45nr-y6pv

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Files

FilenameSizeTypeDescription
DFT-amine functionalisation .xlsx 1MB application/vnd.openxmlformats-officedocument.spreadsheetml.sheet Excel spreadsheet

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DOIDescription
10.14469/hpc/12036 DFT computational data

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