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posted on 2025-10-09, 12:07 authored by Jan Kovář, Erik Andris, Zuzanna Wojdyla, Jishnu Gopinath, Jakub Klinkovský, Radek Fučík, Martin Srnec
Intrinsic bonding orbital analysis, all thermodynamic characteristics associated with the half-reaction cycles; the key energetics of the mixed XY HAA reaction

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    Journal of Chemical Physics

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    Marcus cross relationsOff-diagonal thermodynamicsH-atom abstraction reactivity

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