On the relation between Zenkevich and Wiener indices of alkanes | Zendy

Iván Gutman | Zendy; Boris Furtula | Zendy; Biljana Arsić | Zendy; Žarko Bošković | Zendy

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On the relation between Zenkevich and Wiener indices of alkanes

Author(s) -

Iván Gutman,

Boris Furtula,

Biljana Arsić,

Žarko Bošković

Publication year - 2004

Publication title -

journal of the serbian chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.227

H-Index - 45

eISSN - 1820-7421

pISSN - 0352-5139

DOI - 10.2298/jsc0404265g

Subject(s) - intermolecular force , measure (data warehouse) , wiener index , relation (database) , carbon fibers , thermodynamics , alkane , chemistry , mathematics , computational chemistry , molecule , physics , combinatorics , organic chemistry , hydrocarbon , computer science , data mining , graph , algorithm , composite number

A relatively complicated relation was found to exist between the quantity U, recently introduced by Zenkevich (providing a measure of internal molecular en- ergy), and the Wiener index W (measuring molecular surface area and intermolecu- lar forces). We now report a detailed analysis of this relation and show that, in the case of alkanes, its main features are reproduced by the formula U =- W + + 1; where 1 is the number of methyl groups, and , and are constants, depending only on the number of carbon atoms. Thus, for isomeric alkanes with the same num- ber of methyl groups, U and W are linearly correlated.

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