Distance degree vector and scalar sequences of corona and lexicographic products of graphs with applications to dynamic NMR and dynamics of nonrigid molecules and proteins

We have developed novel topological techniques to generate distance degree vector sequences (DDS) and distance degree scalar sequences (SS) of corona and lexicographic products of graphs both of which are of chemical and biochemical interest. Query ID="Q1" Text="Please confirm if the...

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Veröffentlicht in:Theoretical chemistry accounts 2021-03, Vol.140 (3), Article 25
Hauptverfasser: Huilgol, Medha Itagi, Divya, B., Balasubramanian, Krishnan
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Sprache:eng
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Zusammenfassung:We have developed novel topological techniques to generate distance degree vector sequences (DDS) and distance degree scalar sequences (SS) of corona and lexicographic products of graphs both of which are of chemical and biochemical interest. Query ID="Q1" Text="Please confirm if the author names are presented accurately and in the correct sequence (given name, middle name/initial, family name). Author 1 Given name: [Medha Itagi] Last name [Huilgol]. Also, kindly confirm the details in the metadata are correct." We have obtained exact analytical expressions for such products for a variety of graphs and trees of chemical and biochemical interest. We have also outlined the applications of these graph products and their DDS to dynamic NMR spectroscopy and isomerization/conformational graphs of nonrigid molecules and proteins whose NMR and conformational dynamics graphs are expressible as lexicographic products of smaller graphs.
ISSN:1432-881X
1432-2234
DOI:10.1007/s00214-021-02719-y