E_File_8 - Chapter 4 DFT optimised coordinates.zip

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Open Access

Field	Value	Language
dc.contributor.author	Canfield, Peter John
dc.date.accessioned	2022-11-03T21:39:32Z
dc.date.available	2022-11-03T21:39:32Z
dc.date.issued	2018	en_AU
dc.identifier.uri	https://hdl.handle.net/2123/29691
dc.description.abstract	Zip archive folder of all Density-Functional Theory optimised molecular structures (Cartesian coordinates) reported in Thesis Chapter 4.	en_AU
dc.language.iso	en	en_AU
dc.publisher	Nature Chemistry	en_AU
dc.rights	Creative Commons Attribution-NonCommercial 4.0	en_AU
dc.subject	Akamptisomerism	en_AU
dc.subject	DFT optimised structures	en_AU
dc.title	E_File_8 - Chapter 4 DFT optimised coordinates.zip	en_AU
dc.type	Dataset	en_AU
dc.subject.asrc	03 Chemical Sciences	en_AU
dc.subject.asrc	0307 Theoretical and Computational Chemistry	en_AU
dc.subject.asrc	0399 Other Chemical Sciences	en_AU
dc.identifier.doi	10.1038/s41557-018-0043-6
dc.relation.arc	DP0666378
dc.relation.arc	DP0773847
dc.relation.arc	DP150103137
dc.description.method	See Thesis chapter 4 for details	en_AU
dc.relation.other	Gritton Scholarship
dc.relation.other	Research Training Program Stipend (SC1999)
dc.relation.other	Shanghai High-End Foreign Experts Grant
dc.relation.other	National Natural Science Foundation of China (NSFC; grant no. 11674212)
dc.relation.other	National Computational Infrastructure (NCI, d63)
dc.relation.other	INTERSECT (r88)
usyd.faculty	SeS faculties schools::Faculty of Science::School of Chemistry	en_AU
workflow.metadata.only	No	en_AU