DOI: 10.14469/hpc/12142 Metadata

Created: 2022-12-23 14:05

Last modified: 2022-12-23 15:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

TS-3-4

Embargo

Access code: 3t54-p3ue

Release embargo

Files

Filename	Size	Type	Description
TS-3-4.chk	72MB	chemical/x-gaussian-checkpoint
TS-3-4.com	3KB	application/x-msdos-program
TS-3-4.log	1MB	chemical/x-gaussian-log

Member of collection / collaboration

DOI	Description
10.14469/hpc/12036	DFT computational data

Subject Keywords

Keyword	Value
inchi	InChI=1S/C15H15N2O.2C2H4O2.Cu/c1-15(2,13-8-4-3-5-9-13)17-11-12-7-6-10-16-14(12)18;2*1-2(3)4;/h3-8,10-11H,1-2H3,(H-,16,17,18);2*3H,1H3;/q3*-1;+4/p-1
inchikey	YIBQSTNNTGKKTB-UHFFFAOYSA-M

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