Research Article
Assignment of O–O and Mo=O Stretching Frequencies of Molybdenum/Tungsten Complexes Revisited
Table 3
Results at M06 with various basis sets as indicated in the table.
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[a]Invoked via the keyword “aug-cc-pVTZ” in Gaussian 09. |
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[a]Invoked via the keyword “aug-cc-pVTZ” in Gaussian 09. |