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List of works by Katarzyna Podolska-Serafin

DFT analysis of g and 13C hyperfine coupling tensors for model Ni(I)(CO)(n)L(m) (n = 1-4, L = H2O, OH-) complexes epitomizing surface nickel(I) carbonyls.

scientific article published in November 2008

Diagnostic Features of EPR Spectra of Superoxide Intermediates on Catalytic Surfaces and Molecular Interpretation of Their g and A Tensors

Heterogeneous binding of dioxygen: EPR and DFT evidence for side-on nickel(II)-superoxo adduct with unprecedented magnetic structure hosted in MFI zeolite

scientific article published on 17 November 2011

Intimate binding mechanism and structure of trigonal nickel(I) monocarbonyl adducts in ZSM-5 zeolite-spectroscopic continuous wave EPR, HYSCORE, and IR studies refined with DFT quantification of disentangled electron and spin density redistributions

scientific article

Molecular interpretation of EPR parameters - computational spectroscopy approaches

scientific article published in 2012

Molecular structures of nickel adducts in zeolites – Interpretation of experimental EPR g-tensors guided by DFT calculations

scientific article published in March 2019

Resolving conformation dichotomy for Y- and T-shaped three-coordinate Ni(I) carbonyl complexes with relativistic DFT analysis of EPR fingerprints

scientific article published on 01 November 2009

Role of NO δ+ Intermediates in NO Reduction with Propene over NiZSM-5 Zeolite Revealed by EPR and IR Spectroscopic Investigations and DFT Modeling

scientific article published on 15 June 2011

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