Int-S4

DOI: 10.14469/hpc/12156 Metadata

Created: 2022-12-23 14:39

Last modified: 2022-12-23 15:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Int-S4

Embargo

Access code: pt7w-vc46

Release embargo

Files

FilenameSizeTypeDescription
Int-S4.chk 40MB chemical/x-gaussian-checkpoint
Int-S4.com 2KB application/x-msdos-program
Int-S4.log 2MB chemical/x-gaussian-log

Member of collection / collaboration

DOIDescription
10.14469/hpc/12154 No TDG calculations

Subject Keywords

KeywordValue
inchi InChI=1S/C9H13N.C2H4O2.C2H3O2.Cu/c1-9(2,10)8-6-4-3-5-7-8;2*1-2(3)4;/h3-7H,10H2,1-2H3;1H3,(H,3,4);1H3;/q;;-2;+3/p-1
inchikey XULHACIDBAVUIF-UHFFFAOYSA-M

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