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#1 Re: Multiwfn and wavefunction analysis » Predicting heat of vaporization and heat of sublimation » 2021-05-22 08:01:10

If the experimental data is not available for novel synthesized energy compounds then how can one predict the heat of vaporization and sublimation using area, density and sigma nu2 values within the Politzer and Byrd and Rice approach without the availability of fitting parameters(alpha, beta, gamma-multiple regression)?

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