Code snippets
Referenced by:
Manuscript title: Enantioselective Molecular Recognition in a Flexible Self-Folding Cavitand
Journal: Org. Lett.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lledó, Agustí | - |
| dc.coverage.spatial | ES Girona | - |
| dc.date.accessioned | 2022-12-12T10:35:37Z | - |
| dc.date.available | 2023-03-29T09:59:50Z | - |
| dc.date.created | 2022-12-12T11:33:54.572+01:00 | - |
| dc.date.issued | 2022-12-12T11:33:54.572+01:00 | - |
| dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/4074 | - |
| dc.description | (S) cavitand, MD simulation in CHCl3 | - |
| dc.publisher | UdG | - |
| dc.relation | Original title: Enantioselective Molecular Recognition in a Flexible Self-Folding Cavitand DOI: 10.1021/acs.orglett.3c00463 Journal: Org. Lett. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-48 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.orglett.3c00463 | * |
| dc.rights | CC BY 4.0 (c) UdG, 2022 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Host-guest systems | - |
| dc.subject | Supramolecular chemistry | - |
| dc.subject | Molecular dynamics | - |
| dc.subject | Cavitands | - |
| dc.title | SC5OMeB_MD | - |
| dc.type | dataset | - |
| dc.date.updated | 2022-12-12T10:35:12Z | - |
| cml.program.name | Amber | en |
| cml.program.version | 20 | en |
| cml.energy.value | -0.7012501344 | en |
| cml.energy.units | Eh | en |
| cml.formula.generic | C130H105N5O15 | en |
| cml.calculationtype | Molecular Dynamics | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Betti_Cavitand - DOI: 10.19061/iochem-bd-4-48 | |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/4074
Item files in Browse 
HTML5 resume (see conditions inside)