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Title

Effective solution of linear Diophantine equation systems with an application in chemistry
Authors

D. Papp
B. Vizvari
Journal / Anthology

JOURNAL OF MATHEMATICAL CHEMISTRY
Year: 2006
Volume: 39
Issue: 1
Page range: 15-31
Description

Systematic methods of the solution of linear Diophantine systems of equations and their application in decomposing complex chemical reactions are presented. The Contejean-Devie algorithm is improved. A new, linear programming based enumerative algorithm is described, which is applicable to large systems with large solutions. Mathematica implementations are tested and compared in important chemical examples.
Subjects

*Applied Mathematics > Optimization
*Mathematica Technology > Programming > Equation Solving
*Mathematics > Number Theory
*Science > Chemistry
Keywords

decomposition of overall reaction, Diophantine equation, Contejean-Devie algorithm, linear programming