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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Alcami Pertejo, Manuel | - |
| dc.coverage.spatial | ES Madrid Madrid | - |
| dc.date.accessioned | 2018-03-11T11:59:20Z | - |
| dc.date.available | 2018-03-11T11:59:20Z | - |
| dc.date.created | 2018-03-11T12:59:18.862+01:00 | - |
| dc.date.issued | 2018-03-11T12:59:18.862+01:00 | - |
| dc.identifier.uri | https://iochem.ccc.uam.es/browse/handle/100/618 | - |
| dc.description | M3C-FREQoutputs | - |
| dc.publisher | Faculty of Applied Physics and Mathematics, Gdańsk University of Technology | - |
| dc.publisher | Los Alamos National Laboratory | - |
| dc.publisher | Departamento de Química,Universidad Autonoma de Madrid | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-8-3 | - |
| dc.rights | CC BY 4.0 (c) Universidad Autonoma de Madrid, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Fragments-Freq H3C4_q0_m2-8 | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-03-11T11:59:20Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 09 | en |
| cml.program.other | ES64L-G09RevD.01 | en |
| cml.method | UB3LYP | en |
| cml.multiplicity | 2 | en |
| cml.spintype | Unrestricted | en |
| cml.shelltype | open | en |
| cml.charge | 0 | en |
| cml.energy.value | -154.007014076 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C4H3 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | true | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Furan - DOI: 10.19061/iochem-bd-8-3 | |
Please use this identifier to cite or link to this item:
https://iochem.ccc.uam.es/browse/handle/100/618
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