Int-9

DOI: 10.14469/hpc/12134 Metadata

Created: 2022-12-23 13:54

Last modified: 2022-12-23 14:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Int-9

Embargo

Access code: 7ayq-qnm6

Release embargo

Files

FilenameSizeTypeDescription
Int-9.chk 45MB chemical/x-gaussian-checkpoint
Int-9.com 2KB application/x-msdos-program
Int-9.log 2MB chemical/x-gaussian-log

Member of collection / collaboration

DOIDescription
10.14469/hpc/12036 DFT computational data

Subject Keywords

KeywordValue
inchi InChI=1S/C16H18N2O3S/c1-16(2,18-11-12-7-6-10-17-15(12)19)13-8-4-5-9-14(13)22(3,20)21/h4-11H,1-3H3,(H,17,19)/b18-11+
inchikey DSAXKQFPPVGHME-WOJGMQOQSA-N

Edit