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Materials Structure and Modeling Research Group of the Hungarian Academy of Sciences, Budapest University of Technology and Economics, P.O. Box 91, 1521 Budapest, Hungary ‡ Centre for Theoretical ...
Synergistic Effects of Keggin-Type Phosphotungstic Acid-Supported Single-Atom Catalysts in a Fast NH
2c02759. Energy of the configurations at different spin multiplicities, potential energy surface of the side reaction, geometry parameters of the intermediate, and some other DFT calculation details ...
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