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Manuscript title: Understanding the Binding Properties of N-heterocyclic Carbenes through BDE Matrix App

Journal: Eur. J. Inorg. Chem.

DOI: 10.1002/ejic.202100932

Full metadata record
DC FieldValueLanguage
dc.contributor.authorMorán, Lucía-
dc.date.accessioned2021-11-20T20:54:50Z-
dc.date.available2021-11-29T16:15:58Z-
dc.date.created2021-11-20T21:54:49.006+01:00-
dc.date.issued2021-11-20T21:54:49.006+01:00-
dc.identifier.urihttps://iochem-bd.iciq.es/browse/handle/100/33723-
dc.descriptionPdPH3b3lyp-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Understanding the Binding Properties of N-heterocyclic Carbenes through BDE Matrix App DOI: 10.1002/ejic.202100932 Journal: Eur. J. Inorg. Chem.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-220-
dc.relation.urihttp://dx.doi.org/10.1002/ejic.202100932*
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titlePdPH3b3lyp-
dc.typedataset-
dc.date.updated2021-11-20T20:54:50Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodRB3LYPen
cml.basisset6-31+G* SDD GENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-471.084751307en
cml.energy.unitsEhen
cml.formula.genericH3PPden
cml.calculationtypeSingle point Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:NHC_HiddenDescriptors - DOI: 10.19061/iochem-bd-1-220



Please use this identifier to cite or link to this item: https://iochem-bd.iciq.es/browse/handle/100/33723

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