Wiener Indices and Molecular Surfaces

Author:

Gutmana Ivan12,Körtvélyesi Tamás2

Affiliation:

1. Institute of Physical Chemistry, Attila Jozsef University, P.O. Box 105, H-6701 Szeged, Hungary

2. On leave from Faculty of Science, University of Kragujevac

Abstract

A correlation between the Wiener index (W) and the molecular surface of the respective alkane is established for the first time. This correlation is curvilinear and not particularly good. W is only weakly correlated to molecular volume of saturated hydrocarbons and does not reflect at all their surface-to-volume ratio. By this a long-existing controversy concerning the physico-chemical interpretation of W is resolved.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

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