Abstract
In this paper, we investigate the structural and topological properties of two-dimensional nickel-based organometallic frameworks (2D Ni-MOFs) using various topological descriptors and entropy measures. The frameworks are analyzed by calculating degree-based, edge-based, and Shannon entropy measures to quantify structural complexity and connectivity patterns. Additionally, logarithmic regression models are applied to establish the relationship between entropy measures and topological indices. The results demonstrate that entropy measures effectively capture the structural characteristics of the networks, with logarithmic models providing excellent fits, as evidenced by high R2 values. Violin plots are used to represent the distribution of entropy values and how they correlate with the respective topological indices. This article offers insightful information on the application of topological descriptors and entropy values in the exploration of complex networks and offers a useful approach to interpreting the structural characteristics of two-dimensional nickel-based organometallic frameworks.
| Original language | English |
|---|---|
| Pages (from-to) | 6041-6056 |
| Number of pages | 16 |
| Journal | Chemical Papers |
| Volume | 79 |
| Issue number | 9 |
| DOIs | |
| State | Published - Sep 2025 |
| Externally published | Yes |
Bibliographical note
Publisher Copyright:© The Author(s), under exclusive licence to the Institute of Chemistry, Slovak Academy of Sciences 2025.
Keywords
- Logarithmic regression
- Network
- Nickel-based organometallic frameworks
- Shannon entropy
- Topological descriptors
- Violin plot
ASJC Scopus subject areas
- General Chemistry
- Biochemistry
- General Chemical Engineering
- Industrial and Manufacturing Engineering
- Materials Chemistry
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