ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions
Journal: Angew. Chem. Int. Ed.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | González Fabra, Joan | - |
| dc.date.accessioned | 2015-07-31T08:32:50Z | - |
| dc.date.available | 2015-07-31T08:32:50Z | - |
| dc.date.created | 2015-07-31T10:32:49.097+02:00 | - |
| dc.date.issued | 2015-07-31T10:32:49.097+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/145 | - |
| dc.description | Transition state for uncatalysed reaction between propylene carbonate and butylamine | - |
| dc.relation | Original title: A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions DOI: 10.1002/anie.201504956 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-3 | - |
| dc.title | /CCSD_T/Butylamine/Uncatalyzed/TS TS | - |
| dc.date.updated | 2015-07-31T08:32:50Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | EM64L-G09RevD.01 | en |
| cml.method | RCCSD | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.shelltype | Closed | en |
| cml.charge | 0 | en |
| cml.energy.value | -591.975684174 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C8H17NO3 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions - DOI: 10.19061/iochem-bd-1-3 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/145
Item files in Browse 
HTML5 resume (see conditions inside)