Electronic structure, dielectric properties and infrared...

Electronic structure, dielectric properties and infrared vibrational spectrum of fayalite: An ab initio simulation with an all-electron Gaussian basis set and the B3LYP functional

Y. Noël, M. De La Pierre, L. Maschio, M. Rérat, C. M. Zicovich-Wilson, R. Dovesi
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Volume:
112
Year:
2012
Language:
english
Pages:
11
DOI:
10.1002/qua.23195
File:
PDF, 292 KB
english, 2012
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