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dc.contributor.authorBesora, Maria-
dc.date.accessioned2015-07-14T10:54:45Z-
dc.date.available2015-07-14T10:54:45Z-
dc.date.created2015-07-14T12:54:44.268+02:00-
dc.date.issued2015-07-14T12:54:44.268+02:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/40-
dc.titleradicalP9_2-
dc.date.updated2015-07-14T10:54:45Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB97Den
cml.basisset6-31g*en
cml.multiplicity2en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-196.941600163en
cml.energy.unitsEhen
cml.formula.genericC5H11en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:descriptors/radical_molecules



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