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QUESTDB_website/static/data/structures/QUEST6
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Mickaël Véril 9cdb57208f
Fix dimethylaniline.xyz geometry 
Geometries must be in Angstrom. Thanks to Christof Holzer for pointing out this error!
2022-05-27 13:52:42 +02:00
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aminobenzonitrile.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
aniline.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
azulene.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
benzonitrile.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
benzothiadiazole.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
beta-dipeptide.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
dimethylaminobenzonitrile.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
dimethylaniline.xyz Fix dimethylaniline.xyz geometry 2022-05-27 13:52:42 +02:00
dipeptide.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
hydrogen_chloride.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
n-phenylpyrrole.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
nitroaniline.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
nitrobenzene.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
nitrodimethylaniline.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
nitropyridine_n-oxide.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
phthalazine.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
quinoxaline.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
twisted_dmabn.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00
twisted_pp.xyz Add data from QUEST#6 main paper 2021-12-06 09:32:00 +01:00