Browsing by Author "Ugandi, Mihkel"

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2022-11-21Zeitschriftenartikel

A recursive formulation of one‐electron coupling coefficients for spin‐adapted configuration interaction calculations featuring many unpaired electrons

Ugandi, Mihkel; Roemelt, Michael

This work reports on a novel computational approach to the efficient evaluation of one-electron coupling coefficients as they are required during spin-adapted electronic structure calculations of the configuration interaction ...
2022-06-10Zeitschriftenartikel

Electrochemistry and Reactivity of Chelation‐stabilized Hypervalent Bromine(III) Compounds

Mohebbati, Nayereh; Sokolovs, Igors; Woite, Philipp; Lõkov, Märt; Parman, Elisabeth; Ugandi, Mihkel; Leito, Ivo; Roemelt, Michael; Suna, Edgars; Francke, Robert

Hypervalent bromine(III) reagents possess a higher electrophilicity and a stronger oxidizing power compared to their iodine(III) counterparts. Despite the superior reactivity, bromine(III) reagents have a reputation of ...