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The infrared spectrum of spessartine : An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)
L. Maschio, M. Ferrabone, A. Meyer, J. Garza, R. DovesiVolume:
501
Year:
2011
Language:
english
Pages:
7
DOI:
10.1016/j.cplett.2010.11.072
File:
PDF, 895 KB
english, 2011