Code snippets
Referenced by:
Manuscript title: Homogeneous Reforming of Aqueous Ethylene Glycol to Glycolic Acid and Pure Hydrogen Catalyzed by Pincer‐Ruthenium Complexes Capable of Metal‐Ligand Cooperation
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | von Wolff, Niklas | - |
| dc.coverage.spatial | ES Barcelona Barcelona | - |
| dc.date.accessioned | 2020-09-11T12:15:14Z | - |
| dc.date.available | 2020-12-28T21:00:44Z | - |
| dc.date.created | 2020-09-11T14:15:12.396+02:00 | - |
| dc.date.issued | 2020-09-11T14:15:12.396+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/194921 | - |
| dc.description | opt+freq with explicit solvation | - |
| dc.relation | Original title: Homogeneous Reforming of Aqueous Ethylene Glycol to Glycolic Acid and Pure Hydrogen Catalyzed by Pincer‐Ruthenium Complexes Capable of Metal‐Ligand Cooperation DOI: 10.1002/chem.202005450 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-66 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/chem.202005450 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Gaussian 11EXP | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-09-11T12:15:14Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevB.01 | en |
| cml.method | RM06L | en |
| cml.basisset | DEF2TZVP/W06 | en |
| cml.spintype | Restricted | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 2 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Homogeneous_Reforming_of_Aqueous_Ethylene_Glycol - DOI: 10.19061/iochem-bd-6-66 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/194921
Item files in Browse 
HTML5 resume (see conditions inside)