Keywords
CyclopropeneCyclopropanePropyneAcetyleneAlleneChemistryPropeneAb initioComputational chemistryEthyleneMethaneMolecular orbitalHydrocarbonMoleculeBasis setGaussian orbitalPhysical chemistryPhotochemistryOrganic chemistryCatalysisDensity functional theoryRing (chemistry)
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Publication Info
- Year
- 1972
- Type
- article
- Volume
- 16
- Issue
- 2
- Pages
- 217-219
- Citations
- 1075
- Access
- Closed
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Cite This
P. C. Hariharan,
John A. Pople
(1972).
The effect of d-functions on molecular orbital energies for hydrocarbons.
Chemical Physics Letters
, 16
(2)
, 217-219.
https://doi.org/10.1016/0009-2614(72)80259-8
Identifiers
- DOI
- 10.1016/0009-2614(72)80259-8