Code snippets
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | lopez, ricard | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2022-05-25T09:18:27Z | - |
| dc.date.available | 2022-05-25T09:18:27Z | - |
| dc.date.created | 2022-05-25T11:18:25.803+02:00 | - |
| dc.date.issued | 2022-05-25T11:18:25.803+02:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/3657 | - |
| dc.description | 3D visualization model of the prototypical self-folding cavitand, first introduced by Prof. Julius Rebek Jr. | - |
| dc.publisher | University of Girona (UdG) | - |
| dc.publisher | Institute of Computational Chemistry and Catalysis (IQCC) | - |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-40 | - |
| dc.rights | CC BY 4.0 (c) UdG, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | receptors | - |
| dc.subject | Cavitands | - |
| dc.subject | Supramolecular chemistry | - |
| dc.title | Self-folding_cavitand | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-05-25T09:18:27Z | - |
| cml.program.name | Gaussian | en |
| cml.program.version | 16 | en |
| cml.program.other | ES64L-G16RevA.03 | en |
| cml.basisset | 6-31G(D) | en |
| cml.multiplicity | 1 | en |
| cml.spintype | Restricted | en |
| cml.charge | 0 | en |
| cml.energy.value | -4895.67205641 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C84H88N8O16 | en |
| cml.calculationtype | Single point Structure | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Self-folding_Cavitand - DOI: 10.19061/iochem-bd-4-40 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/3657
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