Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File  
TS_A3A4P_EXO_BDownload
output.cmlDownload
Referenced by:

Manuscript title: A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles

Journal: Org. Lett.

DOI: 10.1021/acs.orglett.9b02032

Full metadata record
DC FieldValueLanguage
dc.contributor.authorArtigas, Albert-
dc.coverage.spatialES Girona Girona-
dc.date.accessioned2019-06-12T16:25:40Z-
dc.date.available2019-07-24T07:08:47Z-
dc.date.created2019-06-12T18:25:38.704+02:00-
dc.date.issued2019-06-12T18:25:38.704+02:00-
dc.identifier.urihttps://iochem.udg.edu:8443/browse/handle/100/679-
dc.descriptionOptimization and Frequencies-
dc.publisherUniversitat de Girona (UdG)-
dc.publisherInstitut de Química Computacional i Catàlisi (UdG)-
dc.relationOriginal title: A Rh-Catalyzed Cycloisomerization/Diels–Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles DOI: 10.1021/acs.orglett.9b02032 Journal: Org. Lett.*
dc.relation.urihttp://dx.doi.org/10.1021/acs.orglett.9b02032*
dc.rightsCC BY 4.0 (c) UdG, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/OPTFREQ TS_A3A4P_EXO_B-
dc.typedataset-
dc.date.updated2019-06-12T16:25:40Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherES64L-G09RevE.01en
cml.methodRB3LYPen
cml.basissetcc-pVDZen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge1en
cml.energy.value-4020.08106480en
cml.energy.unitsEhen
cml.formula.genericC64H57NO4P2RhSen
cml.calculationtypeGeometry optimization TSen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs2en
cml.hasmolecularorbitalsfalseen
Appears in Collections:2019_Rh_Bisallene_Ene



Please use this identifier to cite or link to this item: https://iochem.udg.edu/browse/handle/100/679

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License