Some Valency Oriented Molecular Invariants of Certain Networks

Area of Science:

• Chemical Graph Theory
• Materials Science

Background:

• Valency, defined as the number of neighboring atoms, is crucial in molecular structures.
• Valency-based molecular invariants are established descriptors correlating to physicochemical properties like boiling point and stability.

Purpose of the Study:

• To investigate valency-based molecular invariants for four specific hexa chemical structures.
• To determine exact values for several topological indices in these networks.

Main Methods:

• Utilizing an atom-bond partition technique based on atomic valences.
• Applying this method to analyze hexagonal, honeycomb, oxide, and silicate sheet networks.

Main Results:

• Computed exact values for Randi index, atom bond connectivity index, geometric arithmetic index, harmonic index, Zagreb indices, Zagreb polynomials, F-index, and F-polynomial.
• Successfully determined these invariants for the four studied hexa chemical structures.

Conclusions:

• The study successfully calculated key valency-based molecular invariants for specified hexa chemical structures.
• The findings contribute to the understanding of structure-property relationships in these materials.