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Adittya Pal

As seen in: Wiley Online Library, ACS Publications
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Articles

Finding Pathways in Reaction Networks Guided by Energy Barriers Using Integer Linear Programing

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By Adittya Pal, Rolf Fagerberg, Jakob Lykke Andersen
| Wiley Online Library Verified
1 Introduction Kinetic studies of individual reactions have provided valuable insight into their mechanisms, which in turn can generate ways to optimize the reaction to suit the overall synthesis goals. However, molecules are often entangled in various concurrent reactions, which together form an interconnected web of reactions called a reaction network.
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Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming

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By Adittya Pal, Rolf Fagerberg, Jakob Lykke Andersen, Christoph Flamm
| dx.doi.org
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Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming

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By Rolf Fagerberg, Jakob Lykke Andersen, Christoph Flamm, Adittya Pal
| ACS Publications
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