[期刊论文][Regular Article]


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

作   者:
Medha Itagi Huilgol;B. Divya;Krishnan Balasubramanian;

出版年:2021

页     码:1 - 26
出版社:Springer Nature


摘   要:

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.



关键字:

Corona product; Lexicographic product; Distance degree sequence; Conformational dynamics of proteins; NMR graphs as lexicographic products


所属期刊
Theoretical Chemistry Accounts
ISSN: 1432-881X
来自:Springer Nature