Isomer distribution in α-Keggin structures [XW_12−nV_nO₄₀]^−(q+n) X = Si, P (0 ≤ n ≤ 4): A DFT study of free energy and vibrational spectra

Pedro Schames Pinheiro; Alexandre Braga Rocha; Jean-Guillaume Eon; Rodrigo de Paiva Floro Bonfim; Sabrina Guimarães Sanches

Comptes Rendus. Chimie, Volume 19 (2016) p. 1352-1362