DOI: 10.14469/hpc/12141 Metadata

Created: 2022-12-23 14:04

Last modified: 2022-12-23 15:00

Author: Joe I. Higham

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

SM-TDG-HBS

Embargo

Access code: r2cr-5hpc

Release embargo

Files

Filename	Size	Type	Description
SM-TDG-HBS.chk	11MB	chemical/x-gaussian-checkpoint
SM-TDG-HBS.com	1KB	application/x-msdos-program
SM-TDG-HBS.log	227KB	chemical/x-gaussian-log

Member of collection / collaboration

DOI	Description
10.14469/hpc/12036	DFT computational data

Subject Keywords

Keyword	Value
inchi	InChI=1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)
inchikey	DNTYEVWEOFZXFE-UHFFFAOYSA-N

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