Articles with "energies formation" as a keyword



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Activation free energies for formation and dissociation of N–N, C–C, and C–H bonds in a Na–Ga melt

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Published in 2021 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2021.110366

Abstract: Abstract Bonding energies of N–N, C–C, and C–H in Na–Ga melts and C–H in Ga melts were investigated using first-principles calculations. Activation free energies for formation and dissociation of the above bonds were estimated via… read more here.

Keywords: formation dissociation; dissociation bonds; energies formation; free energies ... See more keywords