Quantitative Structure-Activity Relationship

On topological properties of 2-dimensional lattices of carbon nanotubes
Topological descriptors are the most important numerical quantities in the fields of mathematical chemistry and nanotechnology. These …
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On the anti-kekulé number of nanotubes and nanocones
Let G(V,E)be a connected graph. A set M ⊆ E is called a matching if no two edges in M have a common end-vertex. A matching M in G is …
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On degree based topological indices of certain nanotubes
A numeric quantity which characterise the whole structure of a graph is called a topological index. The concept of atom-bond …
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Computation of certain topological indices of nanotubes covered by C5 and C7
A topological index is a numeric quantity which represents the structure of a graph. A molecular/chemical graph is hydrogen depleted …
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Bipartite edge frustration of cactus chains
A molecular graph is a graphical representation of a chemical structure which is constructed by using certain graph operation. …
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Computation of certain topological indices of nanotubes
Among topological connectivity indices, the atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are of vital …
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Computational results on inertia indices, signature and nullity of C4C8 (R)nanotube
A molecular/chemical graph is hydrogen depleted chemical structure in which vertices denote atoms and edges denote the bonds. …
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Computing topological indices of honeycomb derived networks
A topological index can be considered as a transformation of a chemical structure into a real number. The degree based topological …
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On spectrum related topological descriptors of carbon nanocones
The study of spectrum (i.e. multiset of eigenvalues) of graphs especially molecular graphs has found a considerable use in theoretical …
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Some physico-chemical characteristics of carbon nanotubes: A computational aspect
Topological descriptors are the numerical indices based on the topology of the atoms and their bonds (chemical conformation, quaternary …
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