Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
SM_opt1_M06-TZVP_SP.comDownload
SM_opt1_TZVP_SP.comDownload
SM_opt1_M06-TZVP_SP_2.comDownload
SM_opt1_M06-TZVP_SP_3.comDownload
SM_opt1_M06-TZVP_SP_4.comDownload
SM_opt1_TZVP_SP_2.comDownload
gaussian_SM_opt1_TZVP_SP.outDownload
gaussian_SM_opt1_M06-TZVP_SP.outDownload
SM_opt1.comDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorPetter, Dunås-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2020-02-17T09:44:42Z-
dc.date.available2020-02-17T09:47:13Z-
dc.date.created2020-02-17T10:44:25.652+01:00-
dc.date.issued2020-02-17T10:44:25.652+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/194185-
dc.descriptionStarting material 2a-
dc.publisherBarcelona Supercomputing Center-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title2a-
dc.typedataset-
dc.date.updated2020-02-17T09:44:41Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevB.01en
cml.methodRB3LYPen
cml.basissetGENen
cml.spintypeRestricteden
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Palladium catalyzed stereospecific arylation of biocatalytically de-rived cyclic 1,3-dienes: Chirality transfer via a Heck-type mechanism. Supporting information. - DOI: 10.19061/iochem-bd-6-23



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/194185

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License