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PBEPBE-GD3MBJ-SMDwater_def2-QZVP_Hf-DOTA_Hf-DOTA_conf1_Hf-DOTA_conf1.inpDownload
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Manuscript title: Synthesis and stability of the [45Ti]Ti-DOTA complex: en route towards aza-macrocyclic 45Ti-based radiopharmaceuticals

Journal: Chem. Commun.

DOI: 10.1039/D4CC01800A

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DC FieldValueLanguage
dc.contributor.authorFoscato, Marco-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2024-03-14T13:34:41Z-
dc.date.available2024-03-19T07:51:29Z-
dc.date.created2024-03-14T14:34:39.119+01:00-
dc.date.issued2024-03-14T14:34:39.119+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/319834-
dc.descriptionsingle point energy-
dc.publisherUniversity of Bergen-
dc.relationOriginal title: Synthesis and stability of the [45Ti]Ti-DOTA complex: en route towards aza-macrocyclic 45Ti-based radiopharmaceuticals DOI: 10.1039/D4CC01800A Journal: Chem. Commun.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-344-
dc.relation.urihttp://dx.doi.org/10.1039/D4CC01800A*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectHafnium-
dc.subjectRadiochemistry-
dc.subjectRadiopharmaceuticals-
dc.subjectTitanium-
dc.subjectZirconium-
dc.subjectChelates-
dc.title/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M16-
dc.typedataset-
dc.date.updated2024-03-14T13:34:41Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevC.01en
cml.methodRPBEPBEen
cml.basissetGENECPen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge0en
cml.energy.value-1493.12077354en
cml.energy.unitsEhen
cml.formula.genericC16H24HfN4O8en
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Ti_DOTA - DOI: 10.19061/iochem-bd-6-344



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