Mechanism of oxidation of ethane to ethanol at Iron(IV)-oxo sites in magnesium-diluted Fe₂(dobdc)

Pragya Verma, Konstantinos D. Vogiatzis, Nora Planas, Joshua Borycz, Dianne J. Xiao, Jeffrey R. Long, Laura Gagliardi, Donald G. Truhlar

Research output: Contribution to journal › Article › peer-review

146 Scopus citations

1 results

Finished
NMGC: Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis (Phase 1)
Siepmann, I., Cramer, C., Gagliardi, L., Truhlar, D. G., Tsapatsis, M. & Goodpaster, J. D.
9/1/12 → 8/31/17
Project: Research project