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...

Cur síos iomlán

Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Kibalchenko, M, Yates, JR, Massobrio, C, Pasquarello, A
Formáid: Journal article
Teanga:English
Foilsithe / Cruthaithe: 2011