Comparing B3LYP and B97 Dispersion-corrected Functionals for Studying Adsorption and Vibrational Spectra in Nitrogen Reduction

Esther F. Grossman, Damilola A. Daramola, Gerardine Botte

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)316-326
JournalDefault journal
StatePublished - Mar 1 2021

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