ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Bicyclic Guanidine Promoted Mechanistically Divergent Depolymerization and Recycling of a Biobased Polycarbonate
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Villar-Yanez, Alba | - |
| dc.date.accessioned | 2023-09-22T21:42:17Z | - |
| dc.date.available | 2023-11-08T10:12:41Z | - |
| dc.date.created | 2023-09-22T23:42:15.575+02:00 | - |
| dc.date.issued | 2023-09-22T23:42:15.575+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/65363 | - |
| dc.description | wB97XD/6-311G** SMD=acetonitrile Temperature 353.15K | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.publisher | Universitat Rovira i Virgili | - |
| dc.relation | Original title: Bicyclic Guanidine Promoted Mechanistically Divergent Depolymerization and Recycling of a Biobased Polycarbonate DOI: 10.1002/anie.202314659 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-292 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.202314659 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Limonene glycol | - |
| dc.subject | Polymers | - |
| dc.subject | Limonene carbonate | - |
| dc.subject | depolymerization | - |
| dc.subject | Organocatalysis | - |
| dc.subject | cyclic carbonate | - |
| dc.subject | DFT | - |
| dc.subject | Homogeneous catalysis | - |
| dc.subject | CO2 | - |
| dc.title | F-m | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-09-22T21:42:17Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | AM64L-G16RevA.03 | en |
| cml.method | RwB97XD | en |
| cml.basisset | 6-311G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -1169.77827891 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C18H31N3O4 | 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: | Depolymerization_Limonene_Carbonate - DOI: 10.19061/iochem-bd-1-292 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/65363
Item files in Browse 
HTML5 resume (see conditions inside)