DOI: 10.14469/hpc/12129 Metadata

Created: 2022-12-23 13:47

Last modified: 2022-12-23 14:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Int-3

Embargo

Access code: vywy-zmfk

Release embargo

Files

Filename	Size	Type	Description
Int-3.chk	68MB	chemical/x-gaussian-checkpoint
Int-3.com	3KB	application/x-msdos-program
Int-3.log	3MB	chemical/x-gaussian-log

Member of collection / collaboration

DOI	Description
10.14469/hpc/12036	DFT computational data

Subject Keywords

Keyword	Value
inchi	InChI=1S/C15H16N2O.C2H4O2.C2H3O2.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;/h3-11H,1-2H3,(H-,16,17,18);3H,1H3;1H3;/q2*-1;-2;+5/p-1
inchikey	GUCRBBLRASRZMY-UHFFFAOYSA-M

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