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Manuscript title: In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri)cation and anion derivatives

Journal: J. Phys. Org. Chem.

DOI: 10.1002/poc.4447

Full metadata record
DC FieldValueLanguage
dc.contributor.authorEscayola, Silvia-
dc.coverage.spatialES Girona-
dc.date.accessioned2022-08-17T11:00:58Z-
dc.date.available2022-08-17T11:00:58Z-
dc.date.created2022-08-17T13:00:56.308+02:00-
dc.date.issued2022-08-17T13:00:56.308+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/3737-
dc.descriptionD7h symmetry singlet C7Cl7+ at BLYP/6-311+G(d,p) level of theory-
dc.publisherUppsala University-
dc.publisherUniversitat de Girona-
dc.publisherDonostia International Physics Center-
dc.relationOriginal title: In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri)cation and anion derivatives DOI: 10.1002/poc.4447 Journal: J. Phys. Org. Chem.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-4-43-
dc.relation.urihttp://dx.doi.org/10.1002/poc.4447*
dc.rightsCC BY 4.0 (c) UdG, 2022-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectAromaticity-
dc.subjectHalogens-
dc.titleD7h_s_C7Cl7+_BLYP-
dc.typedataset-
dc.date.updated2022-08-17T11:00:58Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevA.03en
cml.methodRBLYPen
cml.basisset6-311+G(D,P)en
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge1en
cml.energy.value-3487.81890588en
cml.energy.unitsEhen
cml.formula.genericC7Cl7en
cml.calculationtypeGeometry optimization Minimumen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Double_Aromaticity - DOI: 10.19061/iochem-bd-4-43



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/3737

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