[HTML][HTML] Computational analysis of some more rectangular tessellations of kekulenes and their molecular characterizations
Cycloarene molecules are benzene-ring-based polycyclic aromatic hydrocarbons that have
been fused in a circular manner and are surrounded by carbon–hydrogen bonds that point …
been fused in a circular manner and are surrounded by carbon–hydrogen bonds that point …
Computation of entropy measures for metal-organic frameworks
Entropy is a thermodynamic function used in chemistry to determine the disorder and
irregularities of molecules in a specific system or process. It does this by calculating the …
irregularities of molecules in a specific system or process. It does this by calculating the …
Topological entropy characterization, NMR and ESR spectral patterns of coronene-based transition metal organic frameworks
Metal organic frameworks (MOFs) are topical crystalline materials with high porosity and
inner surface areas synthesized from naturally occurring minerals. Such MOFs with …
inner surface areas synthesized from naturally occurring minerals. Such MOFs with …
Characterizations of Chemical Networks Entropies by K-Banhatii Topological Indices
Entropy is a thermodynamic function in physics that measures the randomness and disorder
of molecules in a particular system or process based on the diversity of configurations that …
of molecules in a particular system or process based on the diversity of configurations that …
[HTML][HTML] A Paradigmatic Approach to Find the Valency-Based K-Banhatti and Redefined Zagreb Entropy for Niobium Oxide and a Metal–Organic Framework
Entropy is a thermodynamic function in chemistry that reflects the randomness and disorder
of molecules in a particular system or process based on the number of alternative …
of molecules in a particular system or process based on the number of alternative …
Exploring the role of topological descriptors to predict physicochemical properties of anti-HIV drugs by using supervised machine learning algorithms
In order to explore the role of topological indices for predicting physio-chemical properties of
anti-HIV drugs, this research uses python program-based algorithms to compute topological …
anti-HIV drugs, this research uses python program-based algorithms to compute topological …
Valency-based indices for some succinct drugs by using M-polynomial
A topological index, which is a number, is connected to a graph. It is often used in
chemometrics, biomedicine, and bioinformatics to anticipate various physicochemical …
chemometrics, biomedicine, and bioinformatics to anticipate various physicochemical …
Degree based hybrid topological indices and entropies of hydrogen bonded benzo-trisimidazole frameworks
Hydrogen bonded organic frameworks, especially those comprising of benzo-trisimidazole
are porous molecular materials facilitated by hydrogen-bonds. As these materials find …
are porous molecular materials facilitated by hydrogen-bonds. As these materials find …
Refined degree bond partitions, topological indices, graph entropies and machine-generated boron NMR spectral patterns of borophene nanoribbons
The advent of borophene sheets and their nanoribbons has inspired significant
experimental and theoretical research on the 2D-sheets and nanoribbons of boron, wonder …
experimental and theoretical research on the 2D-sheets and nanoribbons of boron, wonder …
[HTML][HTML] Connecting SiO4 in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
A topological index is a numerical parameter that is derived mathematically from a graph
structure. In chemical graph theory, these indices are used to quantify the chemical …
structure. In chemical graph theory, these indices are used to quantify the chemical …