Statistical spectroscopy as a tool for the study of molecular similarity

DOI10.1007/S10910-007-9284-0MaRDI QIDQ551938zbMATH OpenOpenAlexWikidataFDO

Authors Dorota Bielińska-Wąż, Wieslaw Nowak, Łukasz Pepłowski, Piotr Wąż, Subhash C. Basak

Publication date 21 July 2011

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-007-9284-0

zbMATH Keywords

DFT methodsgenetic algorithmmethod of momentsmolecular similaritystatistical spectroscopy

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• An Attempt to Calculate the Number of Energy Levels of a Heavy Nucleus

Cited in

(12)

• An analysis of the autocorrelation descriptor for molecules
• Statistical properties of spectra of chloronaphthalenes
• Descriptors of 2D-dynamic graphs as a classification tool of DNA sequences
• Knowledge-based spectroscopic assignment
• scientific article; zbMATH DE number 2086358 (Why is no real title available?)
• scientific article; zbMATH DE number 5841788 (Why is no real title available?)
• New spectral indices for molecule description
• Peptides multivariate characterisation using a molecular descriptor based approach
• Moments of inertia of spectra and distribution moments as molecular descriptors
• Similarity studies using statistical and genetical methods
• Correlations in spectral statistics
• Graphical and numerical representations of DNA sequences: Statistical aspects of similarity

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• GAUSSIAN

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