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dc.contributor.authorEscayola, Silvia-
dc.coverage.spatialES Girona-
dc.date.accessioned2023-03-25T23:45:28Z-
dc.date.available2023-03-25T23:45:28Z-
dc.date.created2023-03-26T00:45:25.735+01:00-
dc.date.issued2023-03-26T00:45:25.735+01:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/4328-
dc.description21-
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_C/Triplet 21-
dc.typedataset-
dc.date.updated2023-03-25T23:45:27Z-
cml.program.nameGaussianen
cml.program.version16en
cml.program.otherES64L-G16RevB.01en
cml.methodUCAM-B3LYPen
cml.basisset6-311+G(D,P) LANL2DZ GENECPen
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.charge1en
cml.energy.value-2250.2789122en
cml.energy.unitsEhen
cml.formula.genericC4H13Cl2NOsP3en
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:nπ*_states_of_heteroaromatics - DOI: 10.19061/iochem-bd-4-51



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/4328

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