ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates
Journal: Organometallics
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Garay Ruiz, Diego | - |
| dc.date.accessioned | 2019-10-29T14:19:48Z | - |
| dc.date.available | 2020-01-28T11:55:10Z | - |
| dc.date.created | 2019-10-29T15:19:46.813+01:00 | - |
| dc.date.issued | 2019-10-29T15:19:46.813+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/21547 | - |
| dc.description | B97D3/6-311G(d,p) | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Effect of an Al(III) Complex on the Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates Journal: Organometallics | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-141 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2019 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Regioselectivity | - |
| dc.subject | Organocatalysis | - |
| dc.subject | Cyclic Carbonates | - |
| dc.subject | Carbon dioxide fixation | - |
| dc.title | ts2_am_alk | - |
| dc.type | dataset | - |
| dc.date.updated | 2019-10-29T14:19:48Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RB97D3 | en |
| cml.basisset | 6-311G(D,P) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | -1 | en |
| cml.energy.value | -3037.88632158 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C8H12BrO2 | 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: | Regio- and Stereoisomeric Formation of Bicyclic Organic Carbonates: DFT Studies - DOI: 10.19061/iochem-bd-1-141 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/21547
Item files in Browse 
HTML5 resume (see conditions inside)