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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
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  Data: Accurate <superscript>19</superscript>F NMR chemical shifts in Fe(II) complexes with the LH20t local hybrid functional.
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  Data: <searchLink fieldCode="AU" term="%22Krampe+J%22">Krampe J</searchLink>; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de.<br /><searchLink fieldCode="AU" term="%22Zankel+T%22">Zankel T</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Kornievskii+R%22">Kornievskii R</searchLink>; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de.<br /><searchLink fieldCode="AU" term="%22Heckenberger+K%22">Heckenberger K</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Thiele+CM%22">Thiele CM</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Krewald+V%22">Krewald V</searchLink>; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de.
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  Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2026 May 27; Vol. 28 (20), pp. 12203-12215. <i>Date of Electronic Publication: </i>2026 May 27.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1039/d5cp04487a
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        StartPage: 12203
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      – TitleFull: Accurate 19F NMR chemical shifts in Fe(II) complexes with the LH20t local hybrid functional.
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              Text: 2026 May 27
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