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Paper Details

Algorithm for Direct Combinatorial Enumeration of Chiral and Achiral graphs of Homopolysubstituted Diamantane derivatives

Robert Martin Nembaa*, Alphonse Emadak and Christiane. E. Nemba

Journal Title:Journal of Chemical, Biological and physical sciences
Abstract


An Algorithm is given for direct combinationatorial enumeration of distinct skeletons of homopolysubstituted diamantane derivatives having the empirical formula 14 20-q q C H X where X is a non isomerisable ligand and q the degree of substitution. The averaged weights of permutations controlling respectively the chirality and the achirality fittingness are calculated for the parent diamantane in D3d symmetry and then converted into generalized formulas for computing ( ) c A 20,q and ( ) ac A 20,q which are the numbers of chiral and achiral skeletons for any diamantane molecule having a degree of homopolysubstitution 0 q 20 .

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