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Investigates the characterization of geometries and singlet-triplet for the ten geometrical isomers of didehydrophenol. Effect of hydroxyl group on weight of singlet mesomers and valence bond of the arynes; Stabilization of a bicyclic geometry; Estimation of singlet-triplet splittings by correlation with proton coupling constants.

Examines the potential energy surfaces in the stereomutation of spiropentane and cis- and trans-1,2-dimethylspiropentanes. Application of ab initio methods; Effects of the methyl group on the electron donation in the diradical; Implications of the s-cis-methyl group at C-1 and the nonbonding p-pi in the diradical stability.

Studies the role of the introduction of trigonal center into a cyclopropane ring in the strain energy increase. Ab initio calculations; Creation of additional angle strain; Effect of the loss of the cyclopropane C--H bond.