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A new general algorithmic method in reaction syntheses using linear algebra

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Publication:5934318
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DOI10.1023/A:1018836209015zbMath1049.92522OpenAlexW164279670MaRDI QIDQ5934318

István Szalkai

Publication date: 19 June 2001

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1023/a:1018836209015


zbMATH Keywords

simplexesdirect mechanismlinear algebraic methodminimal reaction


Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Basic linear algebra (15A99) Numerical linear algebra (65F99)


Related Items (5)

Search for reaction pathways with P-graphs and reaction blocks: methanation of carbon dioxide with hydrogen ⋮ Reconstructing biochemical cluster networks ⋮ Thermodynamics of discrete quantum processes ⋮ On the equivalence of direct mechanisms and structurally minimal pathways ⋮ Effective solution of linear Diophantine equation systems with an application in chemistry




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