Open AccessIsomer distribution in α-Keggin structures [XW12−nVnO40]−(q+n) X = Si, P (0 ≤ n ≤ 4): A DFT study of free energy and vibrational spectra
Author(s) -
Pedro Schames Pinheiro,
Alexandre B. Rocha,
JeanGuillaume Eon,
Rodrigo de Paiva Floro Bonfim,
Sabrina Guimarães Sanches
Publication year - 2016
Publication title -
comptes rendus chimie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.653
H-Index - 76
eISSN - 1878-1543
pISSN - 1631-0748
DOI - 10.1016/j.crci.2016.05.021
Subject(s) - spectral line , chemistry , crystallography , silicon , analytical chemistry (journal) , materials science , computational chemistry , physics , organic chemistry , astronomy
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