HIGHLIGHTS
- who: Ronan Gleeson and colleagues from the Department of Chemistry, University of Copenhagen, Universitetsparken, Copenhagen, Denmark have published the article: A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for N,N,N`,N`-Tetrasubstituted p-Phenylenediamine Radical Cations, in the Journal: (JOURNAL) of January/26,/2023
- what: The authors report hfcc results for a series of DFT calculations aiming to determine a computational protocol suitable for reproducing experimental hfccs (similar to the previous study of N,N,N`,N`- tetrasubstituted p-phenylenediamine redox potentials ). Comparing changes transitioning from PBE0 to MP2 for . . .
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