3 papers
cs.DM2025
ChemicHull: an online tool for determining extremal chemical graphs of maximum degree at most 3 for any degree-based topological indices
Sébastien Bonte, Gauvain Devillez, Valentin Dusollier +3
Topological indices are graph-theoretic descriptors that play a crucial role in mathematical chemistry, capturing the structural characteristics of molecules and enabling the predi…
math.CO2025
Complete polyhedral description of chemical graphs of maximum degree at most 3
Valentin Dusollier, Sébastien Bonte, Gauvain Devillez +3
Chemical graphs are simple undirected connected graphs, where vertices represent atoms in a molecule and edges represent chemical bonds. A degree-based topological index is a molec…
math.CO2025
Extremal chemical graphs of maximum degree at most 3 for 33 degree-based topological indices
Sébastien Bonte, Gauvain Devillez, Valentin Dusollier +2
We consider chemical graphs that are defined as connected graphs of maximum degree at most 3. We characterize the extremal graphs, meaning those that maximize or minimize 33 degree…