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Polynomial method of molecular isotopic abundance calculations: a computational note

✍ Scribed by B. P. Datta

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
183 KB
Volume
11
Category
Article
ISSN
0951-4198

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✦ Synopsis

The exact abundances of isotopically labeled molecules of any given stoichiometry are calculated via the method of polynomial expansion of elemental isotopic abundance terms. The program-size for a polynomial expansion, viz. (β€’ i = 1 N x i ) q , is known to be decided by the number, N, of variables. In this paper we present, however, a new set of arguments which makes the program-size independent of N. The new program can execute a sum of any number of variables (x i ) and hence is a general one. Using our program, the results obtained, viz. the predicted abundance patterns of molecular assemblies due to a hypothetical element 'X', having more than ten stable isotopes, are presented here.

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