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...

وصف كامل

التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Kibalchenko, M, Yates, JR, Massobrio, C, Pasquarello, A
التنسيق: Journal article
اللغة:English
منشور في: 2011