Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
t10_nap.inDownload
output.cmlDownload
Full metadata record
DC FieldValueLanguage
dc.contributor.authorKuniyil, Rositha-
dc.date.accessioned2018-01-29T09:55:20Z-
dc.date.available2018-05-08T15:26:14Z-
dc.date.created2018-01-29T10:55:19.002+01:00-
dc.date.issued2018-01-29T10:55:19.002+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/8613-
dc.descriptionintermediate-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlet10_nap-
dc.typedataset-
dc.date.updated2018-01-29T09:55:20Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB97Den
cml.basisset6-31g(d)en
cml.basissetSDDen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-3504.75494032en
cml.energy.unitsEhen
cml.formula.genericC64H52O3P2Pden
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/8613

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