The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)
In: Chemical physics letters, Jg. 501 (2011), Heft 4/6, S. 612-618
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Titel: |
The infrared spectrum of spessartine Mn3Al2Si3O12: An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0)
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Autor/in / Beteiligte Person: | Maschio, L. ; Ferrabone, M. ; Meyer, A. ; Garza, J. ; Dovesi, R. |
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Zeitschrift: | Chemical physics letters, Jg. 501 (2011), Heft 4/6, S. 612-618 |
Veröffentlichung: | 2011 |
Medientyp: | serialPeriodical |
ISSN: | 0009-2614 (print) |
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