Performance of density functional theory for describing hetero-metallic active-site motifs for methane-to-methanol conversion in metal-exchanged zeolites - researchr publication

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Naveen K. Dandu, Olajumoke Adeyiga, Dipak Panthi, Shaina A. Bird, Samuel O. Odoh. Performance of density functional theory for describing hetero-metallic active-site motifs for methane-to-methanol conversion in metal-exchanged zeolites. Journal of Computational Chemistry, 39(32):2667-2678, 2018. [doi]

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