Search Results - "Krewald V"

A Ferrocene Metal-Ligand Triplet Diradical with a Terminal Iminyl Group Discovered by Time-Resolved Mid-Infrared Spectroscopy.

Authors: Bauer M Pichl O Scherz F et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2026 Jun 29. Date of Electronic Publication: 2026 Jun 29.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE

Decomposition of Magnetic Coupling in μ-Oxo-Bridged Metal Complexes.

Authors: Krampe J Krewald V

Source: Journal of chemical theory and computation [J Chem Theory Comput] 2026 Jun 09; Vol. 22 (11), pp. 5459-5472. Date of Electronic Publication: 2026 May 19.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE; PubMed not MEDLINE

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

Authors: Krampe J Zankel T Kornievskii R et al.

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

Effect of the [Fe(salen)]2-μ-oxo Catalyst Electronic Structure on Reductive Hydroamination.

Authors: Pocock E Buxton NJ Diefenbach M et al.

Source: Inorganic chemistry [Inorg Chem] 2026 Jan 12; Vol. 65 (1), pp. 999-1007. Date of Electronic Publication: 2025 Dec 20.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: MEDLINE; PubMed not MEDLINE

Evaluating Spin-Orbit Effects on the Thermochemistry of Proton-Coupled Electron Transfer.

Authors: Delony D Fitterer A Diefenbach M et al.

Source: Inorganic chemistry [Inorg Chem] 2026 Jan 12; Vol. 65 (1), pp. 791-801. Date of Electronic Publication: 2025 Dec 22.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: MEDLINE; PubMed not MEDLINE

Oxidatively Induced Reductive N2 Binding: A Dinickel-Bridging Bent N2 Radical Anion and Its Redox-Triggered N2 Release.

Authors: Mozzi SI Manz DH Ostermann N et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2025 Sep 17; Vol. 147 (37), pp. 33679-33690. Date of Electronic Publication: 2025 Sep 06.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE

Intercepting Methanimine for the Synthesis of Piperidine-Based N-Heterocycles in an Aqueous Medium.

Authors: Pocock E Diefenbach M Hood TM et al.

Source: The Journal of organic chemistry [J Org Chem] 2025 Aug 08; Vol. 90 (31), pp. 11257-11263. Date of Electronic Publication: 2025 Jul 26.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 2985193R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6904 (Electronic) Linking ISSN: 00223263 NLM ISO Abbreviation: J Org Chem Subsets: MEDLINE; PubMed not MEDLINE

Electronic and Magnetic Properties of Ferrous Iron in a True Square-Planar Molecular Environment.

Authors: Diederich TM Wehland T Schrodt M et al.

Source: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2025 Jul 11; Vol. 31 (39), pp. e202501474. Date of Electronic Publication: 2025 Jun 18.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 9513783 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3765 (Electronic) Linking ISSN: 09476539 NLM ISO Abbreviation: Chemistry Subsets: MEDLINE; PubMed not MEDLINE

Severely Bent Dinitrogen Bridging in Highly Preorganized Dinuclear Cobalt Complexes Featuring an Intricate Electronic Structure.

Authors: Wang Y Singh S Meyer A et al.

Source: JACS Au [JACS Au] 2025 Jun 20; Vol. 5 (7), pp. 3104-3114. Date of Electronic Publication: 2025 Jun 20 (Print Publication: 2025).

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101775714 Publication Model: eCollection Cited Medium: Internet ISSN: 2691-3704 (Electronic) Linking ISSN: 26913704 NLM ISO Abbreviation: JACS Au Subsets: PubMed not MEDLINE

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

Authors: von Rhein N Low JL Gallenkamp C et al.

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

Analyzing spectral distributions of charge transfer character in ensembles: a case study on the reaction center of photosystem II.

Authors: Šrut A Bhattacharjee S Pantazis DA et al.

Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2025 Apr 16; Vol. 27 (16), pp. 8327-8334. Date of Electronic Publication: 2025 Apr 16.

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

Magnetism of transition-metal-doped tetrel nanoclusters: multi-reference character and spin-orbit effects in Sn12TM (TM = Cr, Mn, Fe).

Authors: Mehmel J Jimenez-Muñoz CM Rivic F et al.

Source: Nanoscale [Nanoscale] 2025 Feb 13; Vol. 17 (7), pp. 3849-3860. Date of Electronic Publication: 2025 Feb 13.

Publication Type: Journal Article

Journal Info: Publisher: RSC Pub Country of Publication: England NLM ID: 101525249 Publication Model: Electronic Cited Medium: Internet ISSN: 2040-3372 (Electronic) Linking ISSN: 20403364 NLM ISO Abbreviation: Nanoscale Subsets: MEDLINE; PubMed not MEDLINE

The temperature dependence of Mössbauer quadrupole splitting values: a quantum chemical analysis.

Authors: von Rhein N Krewald V

Source: Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2025 Feb 04; Vol. 61 (12), pp. 2512-2515. Date of Electronic Publication: 2025 Feb 04.

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 9610838 Publication Model: Electronic Cited Medium: Internet ISSN: 1364-548X (Electronic) Linking ISSN: 13597345 NLM ISO Abbreviation: Chem Commun (Camb) Subsets: MEDLINE; PubMed not MEDLINE

Intramolecular Agostic Interactions and Dynamics of a Methyl Group at a Preorganized Dinickel(II) Site.

Authors: Kothe T Diefenbach M Tagliavini V et al.

Source: Inorganic chemistry [Inorg Chem] 2025 Jan 27; Vol. 64 (3), pp. 1219-1227. Date of Electronic Publication: 2025 Jan 14.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: MEDLINE; PubMed not MEDLINE

Influence of graphene on the electronic and magnetic properties of an iron(III) porphyrin chloride complex.

Authors: Song YJ Gallenkamp C Lleopart G et al.

Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Oct 23; Vol. 26 (41), pp. 26370-26376. Date of Electronic Publication: 2024 Oct 23.

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

Symmetric Electron Transfer Coordinates are Intrinsic to Bridged Systems: An ab Initio Treatment of the Creutz-Taube Ion.

Authors: Šrut A Lear BJ Krewald V

Source: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2024 Jul 29; Vol. 63 (31), pp. e202404727. Date of Electronic Publication: 2024 Jul 01.

Publication Type: Journal Article

Journal Info: Publisher: Wiley-VCH Country of Publication: Germany NLM ID: 0370543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1521-3773 (Electronic) Linking ISSN: 14337851 NLM ISO Abbreviation: Angew Chem Int Ed Engl Subsets: MEDLINE; PubMed not MEDLINE

Synthetic and Mechanistic Studies into the Reductive Functionalization of Nitro Compounds Catalyzed by an Iron(salen) Complex.

Authors: Pocock E Diefenbach M Hood TM et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 Jul 24; Vol. 146 (29), pp. 19839-19851. Date of Electronic Publication: 2024 Jul 12.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE

Coordination of Al(C6F5)3 vs. B(C6F5)3 on group 6 end-on dinitrogen complexes: chemical and structural divergences.

Authors: Escomel L Martins FF Vendier L et al.

Source: Chemical science [Chem Sci] 2024 Jun 17; Vol. 15 (29), pp. 11321-11336. Date of Electronic Publication: 2024 Jun 17 (Print Publication: 2024).

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: eCollection Cited Medium: Print ISSN: 2041-6520 (Print) Linking ISSN: 20416520 NLM ISO Abbreviation: Chem Sci Subsets: PubMed not MEDLINE

Applying Nuclear Forward Scattering as In Situ and Operando Tool for the Characterization of FeN4 Moieties in the Hydrogen Evolution Reaction.

Authors: Heppe N Gallenkamp C Snitkoff-Sol RZ et al.

Source: Journal of the American Chemical Society [J Am Chem Soc] 2024 May 08; Vol. 146 (18), pp. 12496-12510. Date of Electronic Publication: 2024 Apr 17.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5126 (Electronic) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE; PubMed not MEDLINE

Ultrafast photogeneration of a metal-organic nitrene from 1,1'-diazidoferrocene.

Authors: Scherz F Bauer M Domenianni LI et al.

Source: Chemical science [Chem Sci] 2024 Apr 09; Vol. 15 (18), pp. 6707-6715. Date of Electronic Publication: 2024 Apr 09 (Print Publication: 2024).

Publication Type: Journal Article

Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: eCollection Cited Medium: Print ISSN: 2041-6520 (Print) Linking ISSN: 20416520 NLM ISO Abbreviation: Chem Sci Subsets: PubMed not MEDLINE