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...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид: Kibalchenko, M, Yates, JR, Massobrio, C, Pasquarello, A
Формат: Journal article
Хэл сонгох:English
Хэвлэсэн: 2011