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Pyrrolic FeN4 models for FeNC catalysts: the influence of planarity on electronic properties and Mössbauer parameters.

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Title: Pyrrolic FeN4 models for FeNC catalysts: the influence of planarity on electronic properties and Mössbauer parameters.
Authors: von Rhein N; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de., Low JL; FU Berlin, Physical and Theoretical Chemistry, Arnimallee 22, 14195 Berlin, Germany., Gallenkamp C; TU Darmstadt, Department of Chemistry, Quantum Chemistry, Peter-Grünberg-Str. 4, 64287 Darmstadt, Germany. vera.krewald@tu-darmstadt.de., Paulus B; FU Berlin, Physical and Theoretical Chemistry, Arnimallee 22, 14195 Berlin, Germany., 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] 2025 May 14; Vol. 27 (19), pp. 10111-10119. Date of Electronic Publication: 2025 May 14.
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
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  Data: Pyrrolic FeN<subscript>4</subscript> models for FeNC catalysts: the influence of planarity on electronic properties and Mössbauer parameters.
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  Data: <searchLink fieldCode="AU" term="%22von+Rhein+N%22">von Rhein N</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="%22Low+JL%22">Low JL</searchLink>; FU Berlin, Physical and Theoretical Chemistry, Arnimallee 22, 14195 Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Gallenkamp+C%22">Gallenkamp C</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="%22Paulus+B%22">Paulus B</searchLink>; FU Berlin, Physical and Theoretical Chemistry, Arnimallee 22, 14195 Berlin, Germany.<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] 2025 May 14; Vol. 27 (19), pp. 10111-10119. <i>Date of Electronic Publication: </i>2025 May 14.
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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/d5cp00443h
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              Text: 2025 May 14
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