ioChem-BD Browse module - Item page
Item metadata and files
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Buils, Jordi | |
| dc.date.accessioned | 2026-03-18T23:06:37Z | - |
| dc.date.available | 2026-09-03T09:01:58Z | - |
| dc.date.created | 2026-03-19T00:05:10.649937+01:00 | |
| dc.date.issued | 2026-03-19T00:05:10.649937+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/114998 | - |
| dc.description.abstract | P01Mo06O22-0H-iso-0 | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: GibbsNet | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-423 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /PMo P01Mo06O22-0H-iso-0 | |
| dc.type | dataset | |
| cml.program.name | ADF | |
| cml.program.version | 2019 | |
| cml.method | PBE | |
| cml.basisset | TZP | |
| cml.multiplicity | 1 | |
| cml.spintype | Restricted | |
| cml.charge | -3 | |
| cml.energy.value | -9.03116145 | |
| cml.energy.units | Eh | |
| cml.formula.generic | Mo6O22P | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | true | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 4 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | POMs-Database - DOI: 10.19061/iochem-bd-1-423 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/114998
Item files in Browse 
HTML5 resume (see conditions inside)