E_File_14 - Ch6 DFT optimised coordinates.pdf
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Open Access
Type
DatasetAuthor/s
Canfield, Peter JohnAbstract
Density-Functional Theory optimised coordinates for molecules from Thesis Chapter 6. Calculation details for all species are given along with systematic chemical names for most.Density-Functional Theory optimised coordinates for molecules from Thesis Chapter 6. Calculation details for all species are given along with systematic chemical names for most.
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Date
2022-11-02Funding information
ARC DP0666378ARC DP0773847
ARC DP150103137
Research Training Program Stipend (SC1999)
Shanghai High-End Foreign Experts Grant
National Natural Science Foundation of China (NSFC; grant no. 11674212)
INTERSECT (r88)
National Computational Infrastructure (NCI, d63)
Licence
Creative Commons Attribution-NonCommercial 4.0Faculty/School
Faculty of Science, School of ChemistryShare