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Manuscript title: Graphene Oxide-Anchored Ru-dmso Catalyst for Sustainable Nitrile Hydrolysis in an Aqueous Medium
Journal: Inorg. Chem.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Roca Sanchez, Izan | |
| dc.contributor.author | Luis Luis, Josep Maria | |
| dc.contributor.author | Romero Garcia, Maria Isabel | |
| dc.date.accessioned | 2026-05-15T12:33:18Z | - |
| dc.date.available | 2026-09-09T12:19:29Z | - |
| dc.date.created | 2026-05-15T12:32:39.598492Z | |
| dc.date.issued | 2026-05-15T12:32:39.598492Z | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/494491 | - |
| dc.description.abstract | 2dd | |
| dc.description.sponsorship | Barcelona Supercomputing Center | |
| dc.description.sponsorship | Universitat de Girona | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Graphene Oxide-Anchored Ru-dmso Catalyst for Sustainable Nitrile Hydrolysis in an Aqueous Medium DOI: 10.1021/acs.inorgchem.6c02958 Journal: Inorg. Chem. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-657 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.inorgchem.6c02958 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Isomerization | |
| dc.title | /Figure 4_Table S3/Single_points/wB97XD_SVPD(Cl) 2dd | |
| dc.type | dataset | |
| cml.program.name | Gaussian | |
| cml.program.version | 16 | |
| cml.program.other | ES64L-G16RevA.03 | |
| cml.method | RwB97XD | |
| cml.basisset | GEN | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.charge | 0 | |
| cml.energy.value | -2850.0277815 | |
| cml.energy.units | Eh | |
| cml.formula.generic | C31H29Cl2N3ORuS | |
| cml.calculationtype | Single point Structure | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Graphene Oxide-anchored Ru-dmso Catalyst for Sustainable Nitrile - DOI: 10.19061/iochem-bd-6-657 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/494491
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