Add to ORKGAn algorithm for setting up adjacency matrices of benzenoid hydrocarbons from their boundary sequences is detailed. A recipe for computing the boundary code of a benzenoid structure from its adjacency matrix is also given. Finally, an automatic procedure is devised for computing approximate TRE values of benzenoids from their boundary sequences via the Gutman-Petrovic formulae
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physi...
Benzenoids are graphs representing the carbon structure of molecules, defined by a closed path in th...
International audienceBenzenoids are a subfamily of hydrocarbons (molecules that are only made of hy...
An algorithm for setting up adjacency matrices of benzenoid hydrocarbons from their boundary sequenc...
AbstractThis paper provides a combinatorial characterization for the class of graphs that model mole...
Benzenoids are a subfamily of hydrocarbons (molecules that are only made of hydrogen and carbon atom...
An algorithm ds described for the systematic numbering o,f benz,enoid hydrocarbons. The sum of decim...
An algorithm for the calculation of the hyper-Wiener index (WW) of benzenoid hydrocarbons (both cata...
Various graph-theoretical techniques for the calculation of the determinant of the adjacency matrix ...
The Szeged index (Sz) of unbranched catacondensed benzenoid (UBCB) hydrocarbons is examined. An effi...
In recent years conjugated molecules have been intensely studied by means of graph theory1 and a num...
Catacondensed benzenoids (those benzenoids having no carbon atom belonging to three hexagonal rings)...
Fo·r benze.notd or non-benzenoid ca:ta1fusenes having a non- ibranched string 01f cata-co.ndensed ri...
An algorithm is designed for the calculation of the Szeged index of benzenoid hydrocarbons, based on...
We construct bijections between certain energetically favorable resonance-like structures in several...
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physi...
Benzenoids are graphs representing the carbon structure of molecules, defined by a closed path in th...
International audienceBenzenoids are a subfamily of hydrocarbons (molecules that are only made of hy...
An algorithm for setting up adjacency matrices of benzenoid hydrocarbons from their boundary sequenc...
AbstractThis paper provides a combinatorial characterization for the class of graphs that model mole...
Benzenoids are a subfamily of hydrocarbons (molecules that are only made of hydrogen and carbon atom...
An algorithm ds described for the systematic numbering o,f benz,enoid hydrocarbons. The sum of decim...
An algorithm for the calculation of the hyper-Wiener index (WW) of benzenoid hydrocarbons (both cata...
Various graph-theoretical techniques for the calculation of the determinant of the adjacency matrix ...
The Szeged index (Sz) of unbranched catacondensed benzenoid (UBCB) hydrocarbons is examined. An effi...
In recent years conjugated molecules have been intensely studied by means of graph theory1 and a num...
Catacondensed benzenoids (those benzenoids having no carbon atom belonging to three hexagonal rings)...
Fo·r benze.notd or non-benzenoid ca:ta1fusenes having a non- ibranched string 01f cata-co.ndensed ri...
An algorithm is designed for the calculation of the Szeged index of benzenoid hydrocarbons, based on...
We construct bijections between certain energetically favorable resonance-like structures in several...
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physi...
Benzenoids are graphs representing the carbon structure of molecules, defined by a closed path in th...
International audienceBenzenoids are a subfamily of hydrocarbons (molecules that are only made of hy...