Generalized zero-order molecular connectivity index: Enthalpies of crystalline aquo and ammino complexes in QSPR modeling

A. A. Toropov, A. P. Toropova, N. L. Voropaeva, I. N. Ruban, S. Sh Rashidova

Research output: Contribution to journalArticlepeer-review

Abstract

The QSPR model of the enthalpies of formation from elements is suggested for a large group of the crystalline (T= 18°C) aquo and ammino complexes of the type [MLx]Haly. Statistical characteristics obtained for the one-parameter correlation relationship through the optimization of the so- called correlation weights of the local invariants of a molecular graph are as follows: r = 0.9992, s = 26 kJ/mol, and F = 37030 for the learning sample with n = 60; r = 0.9940, s = 66 kJ/mol, and F = 4640 for the control sample with n = 58.

Original languageEnglish
Pages (from-to)525-529
Number of pages5
JournalRussian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
Volume24
Issue number8
Publication statusPublished - Aug 1998

ASJC Scopus subject areas

  • Inorganic Chemistry

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