Total energies, charge distributions, dipole moments, ionisation potentials, and proton affinities have been calculated by the CNDO/2 method for a series of alkylpyrazoles. The electrophilic reactivity of these compounds has been studied by the calculation of total transition-state energies.
R. E. Burton and I. L. Finar, J. Chem. Soc. B, 1970, 1692 DOI: 10.1039/J29700001692
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