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First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3)
2015
Dalton Transactions
Preserved Fulltext
A DFT study to elucidate how the identity of the metal and auxiliary ligands influences H2 → 2H dynamics.
doi:10.1039/c4dt02475c
pmid:25630667
fatcat:jzoun4fx7vho5mzgjdwhnukjwm