Computational insights into zinc silicate MOF structures: topological modeling, structural characterization and chemical predictions

X Li, M Jamal, A Ullah, EE Mahmoud, S Zaman… - Scientific Reports, 2024‏ - nature.com
Metal-organic frameworks (MOFs) play a pivotal role in modern material science, offering
unique properties such as flexibility, substantial pore space, distinctive structure, and large …

Connection based novel AL topological descriptors and structural property of the zinc oxide metal organic frameworks

A Ullah, M Jamal, S Zaman - Physica Scripta, 2024‏ - iopscience.iop.org
Metal organic frameworks (MOFs) play a vital role in a variety of processes such as
heterogeneous catalysis, heterogeneous gas purification and division, biocompatibility …

[PDF][PDF] Novel connection based Zagreb indices of several wheel-related graphs

M Javaid, U Ali, K Siddiqui - Computational Journal of …, 2021‏ - researchgate.net
The field of graph theory plays a useful role in cheminformatics especially in mathematics
and chemistry to develop several chemical structures with the help of numerical parameters …

Computing analysis for first Zagreb connection index and coindex of resultant graphs

M Javaid, U Ali, JB Liu - Mathematical Problems in Engineering, 2021‏ - Wiley Online Library
A numeric parameter which studies the behaviour, structural, toxicological, experimental,
and physicochemical properties of chemical compounds under several graphs' isomorphism …

Connection number topological aspect for backbone DNA networks

A Ahmad, ANA Koam, I Masmali, M Azeem… - The European Physical …, 2023‏ - Springer
The present study investigates the complex topological characteristics of DNA networks, with
a specific emphasis on the innovative metric known as Connection Number (CN) as a key …

Characterization of entropy measures with connection number based indices of boric acid hydrogen-bonded 2D lattice sheets

N Almohanna, ANA Koam, K Alhulwah, A Ahmad… - Scientific Reports, 2024‏ - nature.com
The cut method is a computational approach utilized to predict the fundamental activities of
physicochemical properties of chemical networks, also called topological indices. The …

Computation of connection-based Zagreb indices in chain graphs and triangular sheets

MM Hassan, A Waqar, H Ali, P Ali - Journal of Coordination …, 2024‏ - Taylor & Francis
Graph theory is a mathematical framework that can be used to model and analyze complex
networks. Topology plays a key role in determining the compatibility of chemical graphs …

Study of Carbon Nanocones CNCk(n) via Connection Zagreb Indices

M Asif, M Hussain, H Almohamedh… - Mathematical …, 2021‏ - Wiley Online Library
Topology of fullerenes, carbon nanotubes, and nanocones has considerable worth due to
their effective applications in nanotechnology. These are emerging materials of practical …

Comparing Zinc Oxide‐and Zinc Silicate‐Related Metal‐Organic Networks via Connection‐Based Zagreb Indices

MT Hussain, M Javaid, U Ali, A Raza… - Journal of …, 2021‏ - Wiley Online Library
Metal‐organic networks (MONs) are among the unique complex and porous chemical
compounds. So, these chemical compounds consist of metal ions (vertices) and organic …

Study of carbon nanbotubes and boron nanotubes using degree based topological indices

S Yousaf, AA Bhatti, A Aslam - Polycyclic Aromatic Compounds, 2022‏ - Taylor & Francis
The numerical quantity that correlates chemical structure of a molecule with its physico–
chemical properties is known as topological index. Topological indices are widely used to …