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BDE React App

A React app to calculate Bond Dissociation Energies as described in [1].

See the result at maserasgroup-repo.github.io/bdeapp

[1] O. Lakuntza, M. Besora, F. Maseras. "Searching for Hidden Descriptors in the Metal-Ligand Bond through Statistical Analysis of Density Functional Theory (DFT) Results", 2018. Inorg. Chem. 57, 23, 14660-14670.

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A React app to calculate Bond Dissociation Energies

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