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Effective solution of linear Diophantine equation systems with an application in chemistry
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| JOURNAL OF MATHEMATICAL CHEMISTRY |
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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.
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decomposition of overall reaction, Diophantine equation, Contejean-Devie algorithm, linear programming
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