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Manuscript title: Assembly of Complex 1,4-Cycloheptadienes by (4+3) Cycloaddition of Rhodium(II) and Gold(I) Non-Acceptor Carbenes
Journal: Angew. Chem. Int. Ed.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Armengol i Relats, Helena | - |
dc.date.accessioned | 2020-10-16T08:09:22Z | - |
dc.date.available | 2020-10-16T08:09:22Z | - |
dc.date.created | 2020-10-16T10:09:21.111+02:00 | - |
dc.date.issued | 2020-10-16T10:09:21.111+02:00 | - |
dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/27390 | - |
dc.description | MM3-27-cisdistal_int-to-CHDprod-TSopt_maxstep5 | - |
dc.publisher | Institute of Chemical Research of Catalonia | - |
dc.publisher | Departament de Química Analítica i Química Orgànica de Universitat Rovira i Virgili | - |
dc.relation | Original title: Assembly of Complex 1,4-Cycloheptadienes by (4+3) Cycloaddition of Rhodium(II) and Gold(I) Non-Acceptor Carbenes DOI: 10.1002/anie.202012092 Journal: Angew. Chem. Int. Ed. | - |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-186 | - |
dc.relation.uri | http://dx.doi.org/10.1002/anie.202012092 | - |
dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | Cycloaddition | - |
dc.subject | Carbenes | - |
dc.title | /Rh/TS_Va_VII MM3-27-cisdistal_int-to-CHDprod-TSopt_maxstep5 | - |
dc.type | dataset | - |
dc.date.updated | 2020-10-16T08:09:22Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | EM64L-G09RevD.01 | en |
cml.method | RB3LYP | en |
cml.basisset | LANL2DZ 6-31G(D,P) GENECP | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.energy.value | -2905.20402067 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C23H16F12O8Rh2 | en |
cml.calculationtype | Geometry optimization TS | en |
cml.hassolvent | true | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 2 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | 4+3 - DOI: 10.19061/iochem-bd-1-186 |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/27390