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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevB.01en
cml.methodUCAM-B3LYPen
cml.basisset6-311+G(D,P)en
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.charge0en
cml.energy.value-837.2852678en
cml.energy.unitsEhen
cml.formula.genericC4H4P2en
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesC1CPCCP1en
dc.contributor.authorEscayola, Silvia-
dc.contributor.otherUniversitat de Gironaen
dc.coverage.spatialES Girona-
dc.date.accessioned2023-03-25T23:45:39Z-
dc.date.accessioned2023-03-25T23:55:29Z-
dc.date.available2023-03-25T23:45:39Z-
dc.date.available2023-03-25T23:55:29Z-
dc.date.created2023-03-26T00:45:37.712+01:00-
dc.date.issued2023-03-26T00:45:37.712+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/321371-
dc.description19-1,4-Diphosphorin-
dc.publisherUniversity of Kragujevac-
dc.publisherUniversitat de Girona-
dc.publisherUppsala University-
dc.rightsCC BY 4.0 (c) UdG, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectPhotophysics-
dc.subjectAromaticity-
dc.subjectHeterocycles-
dc.title/GROUP_B/Triplet 19-1,4-Diphosphorin-
dc.typedataset-
dc.date.updated2023-03-25T23:45:39Z-
Appears in Collections:n?*_states_of_heteroaromatics

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