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dc.contributor.authorMulks, Florian
dc.contributor.authorBarrera, Yoshio
dc.date.accessioned2026-02-28T14:23:52Z-
dc.date.available2026-02-28T14:23:43.276031Z
dc.date.available2026-02-28T14:23:52Z-
dc.date.created2026-02-28T14:23:43.276031Z
dc.date.issued2026-02-28T14:23:43.276031Z
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/487512-
dc.description.abstractP_1_28_F_1
dc.description.sponsorshipRWTH Aachen University
dc.description.sponsorshipBarcelona Supercomputing Center
dc.publisherBarcelona Supercomputing Center
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-635-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2026
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectSuperacidic systems
dc.subjectLewis acids
dc.subjectIon affinities
dc.subjectAcidity
dc.subjectCations
dc.subjectCarbocations
dc.titleS_28_P_1_28_F_1_P_1_28_F_1_sp_orca
dc.typedataset
cml.program.nameOrca
cml.program.version5.0.4
cml.program.otherRELEASE
cml.methodDFT
cml.basissetdef2-QZVPP
cml.basissetdef2-QZVPP/C
cml.basissetdef2/J
cml.multiplicity1
cml.spintypeRestricted
cml.charge1
cml.energy.value-960.04890013
cml.energy.unitsEh
cml.formula.genericC4H4F3N2S
cml.calculationtypeSingle point
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:AB3-OIAs_for_dicationic_diacids - DOI: 10.19061/iochem-bd-6-635

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