Skip to main content

Search

Show all results for

Home

Person

Mikhail Kibalchenko

About
Privacy
Disclaimer

Copyright © 2025 EPFL, all rights reserved

Graph Chatbot

About this result

This page is automatically generated and may contain information that is not correct, complete, up-to-date, or relevant to your search query. The same applies to every other page on this website. Please make sure to verify the information with EPFL's official sources.

Related publications (3)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

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

Alfredo Pasquarello, Carlo Massobrio, Mikhail Kibalchenko

Isotropic chemical shifts and quadrupole coupling parameters of Se-77 and Ge-73 nuclei in GeSe2 and GeSe4 glasses are determined through density-functional NMR calculations on amorphous model structures generated by ab initio molecular dynamics. The compar ...

American Chemical Society2011

First-principles investigation of the relation between structural and NMR parameters in vitreous GeO2

Alfredo Pasquarello, Mikhail Kibalchenko

NMR parameters of Ge-73 and O-17 in vitreous GeO2 and quartz GeO2, including the isotropic shifts, the quadrupole coupling constants C-Q, and the electric-field-gradient asymmetry parameters., are determined through density functional calculations. Clear c ...

2010

Structural assignments of NMR chemical shifts in GexSe1-x glasses via first-principles calculations for GeSe2, Ge4Se9, and GeSe crystals

Alfredo Pasquarello, Carlo Massobrio, Mikhail Kibalchenko

Structural assignments are determined for Se-77 and Ge-73 chemical shifts through density-functional NMR calculations for GeSe2, Ge4Se9, and GeSe crystals. In particular, a very good agreement between calculated and measured Se-77 isotropic chemical shifts ...

2010