Abstract
Four methods for calculating the enthalpies of sublimation of organic molecular crystals based on different methodological approaches are proposed. Comparative analysis of these methods was carried out and their good predictive ability with respect to various classes of compounds (aliphatic nitro compounds, acyclic and cyclic amines, amides and amino acids, benzene derivatives, heterocyclic compounds,etc.) was demonstrated.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No, 12, pp. 2872–2881, December, 1996.
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Arnautova, E.A., Zakharova, M.V., Pivina, T.S. et al. Methods for calculating the enthalpies of sublimation of organic molecular crystals. Russ Chem Bull 45, 2723–2732 (1996). https://doi.org/10.1007/BF01430630
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DOI: https://doi.org/10.1007/BF01430630