(Received: August 31, 1998 ; Accepted for publication: January 18, 1999 ; Published on Web: April 23, 1999)
The number of structural isomers of alkanes was combinatorially enumerated by counting the different structures composed of several alkyl groups attached to the center of the molecule specifically defined. This algorithm is rather slow when compared with the conventional graph theoretical method. The correctness of the algorithm was checked by reproducing isomer numbers up to 40 carbon atoms.
Keywords: Structural isomers of alkanes, Combinatorial enumeration, Topological center of alkane molecule
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