Structural Composition of First-Neighbor Shells in GeSe2 and GeSe4 Glasses from a First-Principles Analysis of NMR Chemical Shifts

Isotropic chemical shifts and quadrupole coupling parameters of 77Se and 73Ge nuclei in GeSe 2 and GeSe 4 glasses are determined through density-functional NMR calculations on amorphous model structure...

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Bibliografische gegevens
Hoofdauteurs: Kibalchenko, M, Yates, JR, Massobrio, C, Pasquarello, A
Formaat: Journal article
Taal:English
Gepubliceerd in: 2011