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dc.contributor.authorRellán, Marcos-
dc.date.accessioned2019-09-18T19:03:09Z-
dc.date.available2023-01-16T12:20:11Z-
dc.date.created2019-09-18T21:03:08.147+02:00-
dc.date.issued2019-09-18T21:03:08.147+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/21115-
dc.descriptionTS_methoxycarbonylation-3-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/F2F_20th-September-2019_ETH/Ureas TS2_methoxycarb_3-
dc.typedataset-
dc.date.updated2019-09-18T19:03:09Z-
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-2046.34047894en
cml.energy.unitseVen
cml.formula.genericC17H20Ce72N4O147en
cml.calculationtypeImproved Dimer Methoden
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Covestro - DOI: 10.19061/iochem-bd-1-135



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