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Moscow University Chemistry Bulletin Vol. 54, No. 4, P. 191 (2013)
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D. B. Eremin, A. M. Banaru

Multivariate analysis of melting points for homologous series CxH2x1NO (x = 3–6)

Abstract

A multivariate analysis of empirical structure data for isomeric homologues by use of principal component analysis was carried out, and the correlation with experimental melting points was shown. Based on CSD structure data we discuss the impact of molecular H-aggregation.
Key words: principal component analysis, melting point, molecular structure, hydrogen bond.
Moscow University Chemistry Bulletin.
2013, Vol. 54, No. 4, P. 191
   

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