Edge adjacency relationships in molecular graphs containing heteroatoms: a new topological index related to molar volume

  • Ernesto Estrada
  • Published 1995 in
    Journal of Chemical Information and Computer…


Adjacency between edges in molecular graphs containing heteroatoms is considered by using weights in the nondiagonal entries of the edge adjacency matrix. Values of kc-x parameters used in HMO calculation for molecules containing heteroatoms are used as edges weights. One index is derived using the RandiCtype graph theoretical invariant. This index is well… (More)
DOI: 10.1021/ci00026a005


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