Int-S1

DOI: 10.14469/hpc/12136 Metadata

Created: 2022-12-23 13:59

Last modified: 2022-12-23 14:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Int-S1

Embargo

Access code: prhd-dmh3

Release embargo

Files

FilenameSizeTypeDescription
Int-S1.chk 49MB chemical/x-gaussian-checkpoint
Int-S1.com 3KB application/x-msdos-program
Int-S1.log 1MB chemical/x-gaussian-log

Member of collection / collaboration

DOIDescription
10.14469/hpc/12036 DFT computational data

Subject Keywords

KeywordValue
inchi InChI=1S/C15H16N2O.C2H3O2.Cu/c1-15(2,13-8-4-3-5-9-13)17-11-12-7-6-10-16-14(12)18;1-2(3)4;/h3-11H,1-2H3,(H-,16,17,18);1H3;/q-1;-2;+4/p-1
inchikey AWKJOKFWAMMLGJ-UHFFFAOYSA-M

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