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DC FieldValueLanguage
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherEM64L-G09RevD.01en
cml.methodUB3LYPen
cml.basisset6-311+G**en
cml.multiplicity3en
cml.spintypeUnrestricteden
cml.shelltypeopenen
cml.charge0en
cml.energy.value-2858.5982028en
cml.energy.unitsEhen
cml.formula.genericC32H42BClCuN7O2Sen
cml.calculationtypeSingle point Structureen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCC1CC(C)N2N1[BH4-4]1N3C(C)CC(C)N3[Cu]2(Cl)N2C(C)CC(C)N12.CC1CCC(CC1)[S-4](O)(O)NCCCCC1CCCCC1en
dc.contributor.authorFunes-Ardoiz, Ignacio-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2019-04-30T14:25:19Z-
dc.date.accessioned2019-05-04T13:15:05Z-
dc.date.available2019-04-30T14:25:19Z-
dc.date.available2019-05-04T13:15:05Z-
dc.date.created2019-04-30T16:25:17.601+02:00-
dc.date.issued2019-04-30T16:25:17.601+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/8832-
dc.descriptionMECP_c4-c5_Cl_T-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-119-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleMECP_c4-c5_Cl_T-
dc.typedataset-
dc.date.updated2019-04-30T14:25:19Z-
Appears in Collections:N_F_bond_activation

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Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/8832

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