Nuriya Sakhabutdinova

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A1 Publications

Published

2011

Assessment of Periodic and Cluster-in-Vacuo Models for First Principles Calculation of EPR Parameters of Paramagnetic Defects in Crystals: Rh2+ Defects in NaCl as Case Study , N. Sakhabutdinova, A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, H. Vrielinck, F. Callens, M. Waroquier , Journal of Physical Chemistry A , 115(9), 1721-1733 , 2011 , IF: 2.946 , 8/32 [Q2]

Other Publications

Keynote / Plenary / Invited talks

Talks

Posters

2009

DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices , N. Sakhabutdinova, E. Pauwels, H. Vrielinck, F. Callens, M. Waroquier , Comp.Chemistry Summer School , Essen, Germany , Tue, 22/09/2009 to Fri, 25/09/2009
DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices , N. Sakhabutdinova, E. Pauwels, H. Vrielinck, F. Callens, M. Waroquier , 7th European Federation of EPR (EFEPR) Groups Meeting and Closing Meeting of COST P15 , Antwerp, Belgium , Sun, 06/09/2009 to Fri, 11/09/2009

Funding