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Referenced by:
Manuscript title: A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles
Journal: Org. Lett.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Artigas, Albert | - |
dc.coverage.spatial | ES Girona Girona | - |
dc.date.accessioned | 2019-06-12T16:25:00Z | - |
dc.date.available | 2019-07-24T07:08:46Z | - |
dc.date.created | 2019-06-12T18:24:58.199+02:00 | - |
dc.date.issued | 2019-06-12T18:24:58.199+02:00 | - |
dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/666 | - |
dc.description | Optimization and Frequencies | - |
dc.publisher | Universitat de Girona (UdG) | - |
dc.publisher | Institut de Química Computacional i Catàlisi (UdG) | - |
dc.relation | Original title: A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles DOI: 10.1021/acs.orglett.9b02032 Journal: Org. Lett. | * |
dc.relation.uri | http://dx.doi.org/10.1021/acs.orglett.9b02032 | * |
dc.rights | CC BY 4.0 (c) UdG, 2019 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /OPTFREQ TS_A4PA5P_EXO_B | - |
dc.type | dataset | - |
dc.date.updated | 2019-06-12T16:24:59Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 09 | en |
cml.program.other | ES64L-G09RevE.01 | en |
cml.method | RB3LYP | en |
cml.basisset | cc-pVDZ | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.shelltype | Closed | en |
cml.charge | 1 | en |
cml.energy.value | -4020.16108755 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C64H57NO4P2RhS | en |
cml.calculationtype | Geometry optimization TS | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 2 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | 2019_Rh_Bisallene_Ene |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/666