Scholarlink

<p>Topological and graph-spectral properties of hydrogen-bonded graphene-like 2D-sheets of boric acid are obtained through edge version of distance-based topological indices, graph degree-based entropies and graph spectra that facilitate the characterization of these sheets. We have obtained analytical expressions for the edge and vertex-edge versions of the Wiener, Szeged, and PI indices of 2D-sheets of boric acid through cut methods that split the 2D-networks into smaller strength-weighted graphs through the Djoković-Winkler relation. Further, we have obtained graph entropy expressions for hybrid indices based on bi-Zagreb, tri-Zagreb and Sombor indices. Machine-generated computations were also carried out to validate the analytical expressions thus obtained. The graph-spectral patterns, delocalization energies, NMR and ESR spectral patterns are also computed from the graph spectra and combinatorial generating functions of 2D-sheets.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Topological, Graph-Spectral Properties, NMR and ESR Spectral Patterns of Hydrogen-Bonded Nanosheets of Boric Acid

  • 期刊论文

  • 发表日期：

    2026年3月24日

查看全文
  • S. Prabhu,
  • J. Sahaya Vijay,
  • V. Manimozhi,
  • Micheal Arockiaraj,
  • S. Roy,
  • J. Celin Fiona,
  • Krishnan Balasubramanian

摘要

Topological and graph-spectral properties of hydrogen-bonded graphene-like 2D-sheets of boric acid are obtained through edge version of distance-based topological indices, graph degree-based entropies and graph spectra that facilitate the characterization of these sheets. We have obtained analytical expressions for the edge and vertex-edge versions of the Wiener, Szeged, and PI indices of 2D-sheets of boric acid through cut methods that split the 2D-networks into smaller strength-weighted graphs through the Djoković-Winkler relation. Further, we have obtained graph entropy expressions for hybrid indices based on bi-Zagreb, tri-Zagreb and Sombor indices. Machine-generated computations were also carried out to validate the analytical expressions thus obtained. The graph-spectral patterns, delocalization energies, NMR and ESR spectral patterns are also computed from the graph spectra and combinatorial generating functions of 2D-sheets.