Referenced by:
Manuscript title: Intermolecular hydrogen bonding in calix[5]arene derived cavitands regulates the molecular recognition of fullerenes
Journal: Chem. Commun.
DOI: 10.1039/D3CC03780K
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lledó, Agustí | - |
dc.coverage.spatial | ES Girona | - |
dc.date.accessioned | 2023-08-02T07:50:21Z | - |
dc.date.available | 2023-09-04T13:23:57Z | - |
dc.date.created | 2023-08-02T07:50:18.812Z | - |
dc.date.issued | 2023-08-02T07:50:18.812Z | - |
dc.identifier.uri | https://iochem.udg.edu:8443/browse/handle/100/4768 | - |
dc.description | Cavitand complex with C70. PM7 optimized structure. | - |
dc.publisher | UdG | - |
dc.relation | Original title: Intermolecular hydrogen bonding in calix[5]arene derived cavitands regulates the molecular recognition of fullerenes DOI: 10.1039/D3CC03780K Journal: Chem. Commun. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-4-63 | - |
dc.relation.uri | http://dx.doi.org/10.1039/D3CC03780K | * |
dc.rights | CC BY 4.0 (c) UdG, 2023 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | Calixarenes | - |
dc.subject | Fullerenes | - |
dc.subject | Host-guest systems | - |
dc.subject | Hydrogen bonds | - |
dc.subject | Cavitands | - |
dc.title | tBuPh_C5_OH_MeOH_C70 | - |
dc.type | dataset | - |
dc.date.updated | 2023-08-02T07:50:21Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevA.03 | en |
cml.basisset | VSTO-6G ZDO | en |
cml.multiplicity | 1 | en |
cml.spintype | en | |
cml.shelltype | Closed | en |
cml.charge | 0 | en |
cml.formula.generic | C165H115N5O15 | en |
cml.calculationtype | Geometry optimization Minimum | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | 4-tBuPhC5OH - DOI: 10.19061/iochem-bd-4-63 |
Please use this identifier to cite or link to this item:
https://iochem.udg.edu/browse/handle/100/4768