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dc.contributor.authorTantillo, Dean-
dc.coverage.spatialES Barcelona Barcelona-
dc.date.accessioned2021-05-31T16:56:59Z-
dc.date.available2021-05-31T16:56:59Z-
dc.date.created2021-05-31T18:56:56.782+02:00-
dc.date.issued2021-05-31T18:56:56.782+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/197980-
dc.descriptionTSBC-
dc.publisherBarcelona Supercomputing Center-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-92-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleTSBC_log-
dc.typedataset-
dc.date.updated2021-05-31T16:56:59Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodRmPW1PW91en
cml.basisset6-31+G(D,P)en
cml.spintypeRestricteden
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Bnd4_mechanism



Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/197980

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