Statistical theory of spectra: Statistical moments as descriptors in the theory of molecular similarity

D. Bielińska-Wa̧z, P. Wa̧z, S. C. Basak

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

Statistical moments of the intensity distributions are used as molecular descriptors. They are used as a basis for defining similarity distances between two model spectra. Parameters which carry the information derived from the comparison of shapes of the spectra and are related to the number of properties taken into account, are defined.

Original languageEnglish (US)
Pages (from-to)333-338
Number of pages6
JournalEuropean Physical Journal B
Volume50
Issue number1-2
DOIs
StatePublished - Mar 2006
Externally publishedYes

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