TY - JOUR
T1 - Generalized wiener indices in hexagonal chains
AU - Sen-Peng, E. U.
AU - Yang, B. O.Yin
AU - Yeh, Yeong Nan
PY - 2006/2
Y1 - 2006/2
N2 - The Wiener index, or the Wiener number, also known as the "sum of distances" of a connected graph, is one of the quantities associated with a molecular graph that correlates nicely to physical and chemical properties, and has been studied in depth. An index proposed by Schultz is shown to be related to the Wiener index for trees, and Ivan Gutman proposed a modification of the Schultz index with similar properties. We deduce a similar relationship between these three indices for catacondensed benzenoid hydrocarbons (graphs formed of concatenated hexagons, or hexagonal chains, or sometimes acenes). Indeed, we may define three families of generalized Wiener indices, which include the Schultz and Modified Schultz indices as special cases, such that similar explicit formulae for all generalized Wiener indices hold on hexagonal chains. We accomplish this by first giving a more refined proof of the formula for the standard Wiener index of a hexagonal chain, then extending it to the generalized Wiener indices via the notion of partial Wiener indices. Finally, we discuss possible extensions of the result.
AB - The Wiener index, or the Wiener number, also known as the "sum of distances" of a connected graph, is one of the quantities associated with a molecular graph that correlates nicely to physical and chemical properties, and has been studied in depth. An index proposed by Schultz is shown to be related to the Wiener index for trees, and Ivan Gutman proposed a modification of the Schultz index with similar properties. We deduce a similar relationship between these three indices for catacondensed benzenoid hydrocarbons (graphs formed of concatenated hexagons, or hexagonal chains, or sometimes acenes). Indeed, we may define three families of generalized Wiener indices, which include the Schultz and Modified Schultz indices as special cases, such that similar explicit formulae for all generalized Wiener indices hold on hexagonal chains. We accomplish this by first giving a more refined proof of the formula for the standard Wiener index of a hexagonal chain, then extending it to the generalized Wiener indices via the notion of partial Wiener indices. Finally, we discuss possible extensions of the result.
KW - Generalized polynomial
KW - Generalized wiener indices
KW - Hex chain
KW - Wiener indices
KW - Wiener polynomial
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U2 - 10.1002/qua.20732
DO - 10.1002/qua.20732
M3 - Article
AN - SCOPUS:33645278373
SN - 0020-7608
VL - 106
SP - 426
EP - 435
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
IS - 2
ER -