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Accurate 19F NMR chemical shifts in Fe(II) complexes with the LH20t local hybrid functional.

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Title: Accurate 19F NMR chemical shifts in Fe(II) complexes with the LH20t local hybrid functional.
Authors: Krampe J; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de., Zankel T; Technical University of Darmstadt, Department of Chemistry, Clemens-Schöpf Institute for Organic Chemistry and Biochemistry, Peter-Grünberg-Str. 16, 64287 Darmstadt, Germany. cthiele@thielelab.de., Kornievskii R; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de., Heckenberger K; Technical University of Darmstadt, Department of Chemistry, Clemens-Schöpf Institute for Organic Chemistry and Biochemistry, Peter-Grünberg-Str. 16, 64287 Darmstadt, Germany. cthiele@thielelab.de., Thiele CM; Technical University of Darmstadt, Department of Chemistry, Clemens-Schöpf Institute for Organic Chemistry and Biochemistry, Peter-Grünberg-Str. 16, 64287 Darmstadt, Germany. cthiele@thielelab.de., Krewald V; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de.
Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2026 May 27; Vol. 28 (20), pp. 12203-12215. Date of Electronic Publication: 2026 May 27.
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1463-9084
DOI:10.1039/d5cp04487a