Details

Autor(en) / Beteiligte

• Dolomatov, M. Yu
• Aubekerov, T. M.

Titel

Relationship between Standard Enthalpies/Entropies of Formation and Topological Structural Characteristics for Saturated Hydrocarbons

Ist Teil von

• Russian Journal of Physical Chemistry A, 2018-03, Vol.92 (3), p.401-406

Ort / Verlag

Moscow: Pleiades Publishing

Erscheinungsjahr

2018

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• QSPR models are proposed that satisfactorily describe the relationships between standard enthalpies/ entropies of formation and topological indices in the form of Wiener and Randić indices and the sum of the squares of the eigenvalues from the adjacency matrix of a molecular graph. The models can be recommended for use in scientific and engineering calculations of thermodynamic functions.