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- W2022117751 abstract "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." @default.
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- W2022117751 modified "2023-10-18" @default.
- W2022117751 title "Semi-empirical SCF calculations of pyrazoles. Part I. Ground-state properties and reactivity of alkylpyrazoles" @default.
- W2022117751 doi "https://doi.org/10.1039/j29700001692" @default.
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