ioChem-BD Browse module - Item page
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Referenced by:
Manuscript title: Two Copper-Carbenes from One Diazo Compound
Journal: JACS
DOI: 10.1021/jacs.1c01483
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Besora, Maria | - |
dc.date.accessioned | 2021-03-11T16:23:54Z | - |
dc.date.available | 2021-03-11T16:23:54Z | - |
dc.date.created | 2021-03-11T17:23:52.87+01:00 | - |
dc.date.issued | 2021-03-11T17:23:52.87+01:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/28927 | - |
dc.description | DCM_INTDiazo | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.relation | Original title: Two Copper-Carbenes from One Diazo Compound DOI: 10.1021/jacs.1c01483 Journal: JACS | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-202 | - |
dc.relation.uri | http://dx.doi.org/10.1021/jacs.1c01483 | * |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | DCM_INTDiazo | - |
dc.type | dataset | - |
dc.date.updated | 2021-03-11T16:23:54Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevD.01 | en |
cml.method | RB3LYP | en |
cml.basisset | 6-31+G(D,P) SDD GEN | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -2421.82507113 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C42H51BCuN9O | en |
cml.calculationtype | Geometry optimization Minimum | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 2 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Two Copper-Carbenes from One Diazo Compound - DOI: 10.19061/iochem-bd-1-202 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/28927