Referenced by:
Manuscript title: Deceptive Complexity in Formation of Cleistantha-8,12-diene
Journal: Org. Lett.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Laconsay, Croix | - |
dc.coverage.spatial | ES Barcelona Barcelona | - |
dc.date.accessioned | 2022-04-01T03:57:05Z | - |
dc.date.available | 2022-04-01T03:57:05Z | - |
dc.date.created | 2022-04-01T05:56:58.644+02:00 | - |
dc.date.issued | 2022-04-01T05:56:58.644+02:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/215613 | - |
dc.description | 4 | - |
dc.publisher | Barcelona Supercomputing Center | - |
dc.relation | Original title: Deceptive Complexity in Formation of Cleistantha-8,12-diene DOI: 10.1021/acs.orglett.2c00680 Journal: Org. Lett. | * |
dc.relation.uri | http://dx.doi.org/10.1021/acs.orglett.2c00680 | * |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2022 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | 4 | - |
dc.type | dataset | - |
dc.date.updated | 2022-04-01T03:57:04Z | - |
cml.program.name | Gaussian | en |
cml.program.version | 16 | en |
cml.program.other | ES64L-G16RevC.01 | en |
cml.method | RB3LYP | en |
cml.basisset | 6-31+G(D,P) | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.charge | 0 | en |
cml.energy.value | -781.456436981 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C20H32 | en |
cml.calculationtype | Geometry optimization Minimum | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 2 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | cleistantha-8,12-diene - DOI: 10.19061/iochem-bd-6-75 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/215613