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The correlations between the HOMO-LUMO energy gap as deduced from self-consistent field molecular orbital (SCF MO) calculations (29-32) and the extent of the paratropic shifts revealed by the carbocyclic dianions are shown in Table III (11). (NOTE For Table III, refer to Tables I and II... [Pg.64]

Relationship Between the HOMO-LUMO Energy Gap and the XH Line Shape of 4n tt Paratropic Carbocyclic and Heterocyclic Dianions. [Pg.69]

See other pages where Carbocyclic dianions, HOMO—LUMO is mentioned: [Pg.151] [Pg.62] [Pg.63] [Pg.69] [Pg.75]