CO2 Hydrogenation to Methanol Catalyzed by Mn-SNS Complex: A DFT-Based Mechanistic Investigation
View DatasetVummaleti, Sai Vikrama Chaitanya;Zhang, Xinglong
Description
Geometries of all optimized structures (in .xyz format with their associated energy in Hartrees) are included in a separate folder named DFT_optimized_structures.
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