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dc.contributor.authormontilla, marc-
dc.date.accessioned2024-02-28T09:07:35Z-
dc.date.available2024-02-28T09:07:35Z-
dc.date.created2024-02-28T10:07:33.899+01:00-
dc.date.issued2024-02-28T10:07:33.899+01:00-
dc.identifier.urihttps://iochem.udg.edu/browse/handle/100/5298-
dc.descriptionThe starting complex, first geometry in the mechanism (Ni complex with substrate).-
dc.publisherUdG-
dc.rightsCC BY 4.0 (c) UdG, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleGEOM01_StartingComplex-
dc.typedataset-
dc.date.updated2024-02-28T09:07:35Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodUBP86en
cml.basissetDEF2SVPen
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge2en
cml.energy.value-2519.16433910en
cml.energy.unitsEhen
cml.formula.genericC19H23N5Nien
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventtrueen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ni_fluoroethoxylation



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