Alternant molecular orbital treatment of trimethylenemethyl, C(CH2)3and its ions
- 1 January 1964
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 8 (6) , 541-547
- https://doi.org/10.1080/00268976400100601
Abstract
Calculations have been carried out using alternant molecular orbitals (AMO) for the electrons in the π-system of planar C(CH2)3 ++, C(CH2)3 + and C(CH2)3. The results are compared with those that have been previously obtained using other approximation methods and the complete configuration interaction treatment. Because lower energies are obtained using improved AMO's, these improved AMO calculations have also been carried out for the allyl cation, radical and anion, which were treated in an earlier paper.Keywords
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