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On the Enumeration and Generation of Polyhex Hydrocarbons (CROSBI ID 227874)

Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija

Müller, W.R. ; Szymanski, K. ; Knop, J.V. ; Nikolić, Sonja ; Trinajstić, Nenad On the Enumeration and Generation of Polyhex Hydrocarbons // Journal of computational chemistry, 11 (1990), 2; 223-235. doi: 10.1002/jcc.540110208

Podaci o odgovornosti

Müller, W.R. ; Szymanski, K. ; Knop, J.V. ; Nikolić, Sonja ; Trinajstić, Nenad

engleski

On the Enumeration and Generation of Polyhex Hydrocarbons

A novel efficient computer-oriented approach, based on the DAST (dualist angle-restricted spanning tree) code, is introduced for enumeration and generation of planar polyhex hydrocarbons. It is much faster than other approaches in the literature. The numbers of planar polyhex hydrocarbons with 14 hexagons are reported for the first time.

DAST (dualist angle-restricted spanning tree) code ; polyhex hydrocarbons ;

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Podaci o izdanju

11 (2)

1990.

223-235

objavljeno

0192-8651

1096-987X

10.1002/jcc.540110208

Povezanost rada

Kemija

Poveznice