Molecules of Theoretical Interest
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The effects of electron-donating substituents on the bond alternations in pentalene have been evaluated by using the Pariser-Parr-Pople-type SCF MO CI method in conjunction with a variable bond-length technique . A valence bond treatment of aromaticity, first introduced by Mulder and Oosterhoff, has now been applied to pentalene . MNDO, UMDDO, and MNDO/CI calculations have also been reported for pentalene .
KeywordsMaleic Anhydride Theoretical Interest Dimethyl Acetylenedicarboxylate Bond Alternation Versus Molecule
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