Modern chemical graph theory
Graph theory has a long history in chemistry. Yet as the breadth and variety of chemical data
is rapidly changing, so too do graph encoding methods and analyses that yield qualitative …
is rapidly changing, so too do graph encoding methods and analyses that yield qualitative …
Quantum molecular dynamics, topological, group theoretical and graph theoretical studies of protein-protein interactions
K Balasubramanian, SP Gupta - Current topics in medicinal …, 2019 - ingentaconnect.com
Background: Protein-protein interactions (PPIs) are becoming increasingly important as PPIs
form the basis of multiple aggregation-related diseases such as cancer, Creutzfeldt-Jakob …
form the basis of multiple aggregation-related diseases such as cancer, Creutzfeldt-Jakob …
On certain distance and degree based topological indices of Zeolite LTA frameworks
Zeolites are aluminosilicates with extensive application both commercially and in materials
science. Current applications include dehydrating natural gas and in humidity sensors …
science. Current applications include dehydrating natural gas and in humidity sensors …
Connection number topological aspect for backbone DNA networks
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 …
a specific emphasis on the innovative metric known as Connection Number (CN) as a key …
Guanidinium and hydrogen carbonate rosette layers: distance and degree topological indices, Szeged-type indices, entropies, and NMR spectral patterns
Supramolecular chemistry explores non-covalent interactions between molecules, and it has
facilitated the design of functional materials and understanding of molecular self-assembly …
facilitated the design of functional materials and understanding of molecular self-assembly …
Topological and spectral properties of wavy zigzag nanoribbons
Low-dimensional graphene-based nanomaterials are interesting due to their cutting-edge
electronic and magnetic properties. Their large surface area, strong mechanical resistance …
electronic and magnetic properties. Their large surface area, strong mechanical resistance …
On degree-based topological descriptors of graphyne and graphdiyne nanoribbons
The molecular structure topological descriptors are numeric invariants associated with a
given molecular graph and exhibit the underlying molecular topology of the given molecular …
given molecular graph and exhibit the underlying molecular topology of the given molecular …
Edge Distance‐based Topological Indices of Strength‐weighted Graphs and their Application to Coronoid Systems, Carbon Nanocones and SiO2 Nanostructures
The edge‐Wiener index is conceived in analogous to the traditional Wiener index and it is
defined as the sum of distances between all pairs of edges of a graph G. In the recent years …
defined as the sum of distances between all pairs of edges of a graph G. In the recent years …
Edge Mostar index of chemical structures and nanostructures using graph operations
Recently, a new bond‐additive molecular topological descriptor, named the Mostar index,
has been put forward as a measure of peripherality in chemical graphs and networks. In this …
has been put forward as a measure of peripherality in chemical graphs and networks. In this …
Computation of Mostar index for some graph operations
Very recently, a novel bond‐additive topological descriptor named as the Mostar index has
been proposed as a measure of peripherality in networks and graphs. In this article, we …
been proposed as a measure of peripherality in networks and graphs. In this article, we …