ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Bond orders in metalloporphyrins
Journal: Theor. Chem. Acc.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Swart, Marcel | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2020-08-26T10:54:05Z | - |
| dc.date.available | 2020-09-19T15:11:01Z | - |
| dc.date.created | 2020-08-26T12:54:03.619+02:00 | - |
| dc.date.issued | 2020-08-26T12:54:03.619+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/1444 | - |
| dc.description | /users/marcel/calcs/ssb-d/alicia/Bodsep_Carbo/Bodsep_porphyrins | - |
| dc.publisher | UdG | - |
| dc.relation | Original title: Bond orders in metalloporphyrins DOI: 10.1007/S00214-020-02667-Z Journal: Theor. Chem. Acc. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-22 | - |
| dc.relation.uri | http://dx.doi.org/10.1007/S00214-020-02667-Z | * |
| dc.rights | CC BY 4.0 (c) UdG, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /Bodsep_porphyrins bodsep_cr5_inp | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-08-26T10:54:05Z | - |
| cml.program.name | ADF | en |
| cml.program.version | 2017 | en |
| cml.method | S12g-x PBEc | en |
| cml.basisset | TZ2P | en |
| cml.multiplicity | 5 | en |
| cml.spintype | UNrestricted | en |
| cml.charge | 0 | en |
| cml.formula.generic | C20H12CrN4 | en |
| cml.calculationtype | Single point | en |
| cml.hassolvent | true | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | TCA_Carbo-Dorca - DOI: 10.19061/iochem-bd-4-22 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/1444
Item files in Browse 
HTML5 resume (see conditions inside)