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Understanding the Exchange Interaction between Paramagnetic Metal Ions and Radical Ligands: DFT and Ab Initio Study on Semiquinonato Cu(II) Complexes

International journal of molecular sciences, 2023-02, Vol.24 (4), p.4001

2023

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How accurate is density functional theory in predicting spin density? An insight from the prediction of hyperfine coupling constants

Journal of molecular modeling, 2020-01, Vol.26 (1), p.10-10, Article 10

2020

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Antiradical Properties of N-Oxide Surfactants—Two in One

International journal of molecular sciences, 2021-08, Vol.22 (15), p.8040

2021

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Copper(II) coordination polymer based on l-arginine as a supramolecular hybrid inorganic–organic material: synthesis, structural, spectroscopic and magnetic properties

Research on chemical intermediates, 2023-08, Vol.49 (8), p.3563-3587

2023

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5,10-Dimesityldiindeno[1,2-:2′,1′-]phenanthrene: a stable biradicaloid derived from Chichibabin's hydrocarbon

Chemical science (Cambridge), 2019-03, Vol.1 (11), p.3413-342

2019

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New Dinuclear Macrocyclic Copper(II) Complexes as Potentially Fluorescent and Magnetic Materials

International journal of molecular sciences, 2023-02, Vol.24 (3), p.3017

2023

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Formation and structural features of micelles formed by surfactin homologues

Frontiers in bioengineering and biotechnology, 2023-07, Vol.11, p.1211319-1211319

2023

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Density functional theory and ab initio studies on hyperfine coupling constants of phosphinyl radicals

International journal of quantum chemistry, 2018-12, Vol.118 (23), p.n/a

Witwicki, Maciej

2018

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Dihydroxy-Substituted Coumarins as Fluorescent Probes for Nanomolar-Level Detection of the 4-Amino-TEMPO Spin Label

International journal of molecular sciences, 2019-08, Vol.20 (15), p.3802

2019

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Theoretical Characterisation of Phosphinyl Radicals and Their Magnetic Properties: g Matrix

Chemphyschem, 2015-06, Vol.16 (9), p.1912-1925

Witwicki, Maciej

2015

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The Bright and Dark Sides of Reactive Oxygen Species Generated by Copper–Peptide Complexes

Separations, 2022-03, Vol.9 (3), p.73

2022

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Semiquinone radical anion isolated as an amorphous porous solid

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (32), p.1748-17419

2021

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Toward an Understanding of the Ambiguous Electron Paramagnetic Resonance Spectra of the Iminoxy Radical from o‑Fluorobenzaldehyde Oxime: Density Functional Theory and ab Initio Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-08, Vol.119 (34), p.9109-9120

2015

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Multinuclear Ni(II) and Cu(II) complexes of a meso 6 + 6 macrocyclic amine derived from trans -1,2-diaminocyclopentane and 2,6-diformylpyridine

Dalton transactions : an international journal of inorganic chemistry, 2022-06, Vol.51 (25), p.9735-9747

2022

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o -Semiquinone radical anion isolated as an amorphous porous solid

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (32), p.17408-17419

2021

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Effects of Solvents, Ligand Aromaticity, and Coordination Sphere on the g Tensor of Anionic o-Semiquinone Radicals Complexed by Mg2+ Ions: DFT Studies

The journal of physical chemistry. B, 2011-03, Vol.115 (12), p.3172-3184

2011

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Dielectric-Optical Switches: Photoluminescent, EPR, and Magnetic Studies on Organic–Inorganic Hybrid (azetidinium)2MnBr4

Inorganic chemistry, 2022-04, Vol.61 (14), p.5626-5636

2022

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Protonated o-semiquinone radical as a mimetic of the humic acids native radicals: A DFT approach to the molecular structure and EPR properties

Geochimica et cosmochimica acta, 2012-06, Vol.86, p.384-391

2012

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DFT insight into o-semiquinone radicals and Ca2+ ion interaction: structure, g tensor, and stability

Theoretical chemistry accounts, 2013-09, Vol.132 (9), Article 1383

2013

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Redox reactions of a pyrazine-bridged Ru III (edta) binuclear complex: spectrochemical, spectroelectrochemical and theoretical studies

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.3981-3989

2024

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pH-dependent formation of Hg(II)-semiquinone complexes from natural phenols

Chemosphere (Oxford), 2015-11, Vol.138, p.233-238

2015

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Redox reactions of a pyrazine-bridged RuIII(edta) binuclear complex: spectrochemical, spectroelectrochemical and theoretical studies

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.3981-3989

2024

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Redox reactions of a pyrazine-bridged Ru(edta) binuclear complex: spectrochemical, spectroelectrochemical and theoretical studies

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.3981-3989

2024

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Dielectric-Optical Switches: Photoluminescent, EPR, and Magnetic Studies on Organic-Inorganic Hybrid (azetidinium) 2 MnBr 4

Inorganic chemistry, 2022-04, Vol.61 (14), p.5626-5636

2022

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Understanding natural semiquinone radicals – Multifrequency EPR and relativistic DFT studies of the structure of Hg(II) complexes

Chemosphere (Oxford), 2015-01, Vol.119 (C), p.479-484

2015

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Understanding the Exchange Interaction between Paramagnetic Metal Ions and Radical Ligands: DFT and Ab Initio Study on Semiquinonato Cu(II) Complexes

How accurate is density functional theory in predicting spin density? An insight from the prediction of hyperfine coupling constants

Antiradical Properties of N-Oxide Surfactants—Two in One

Copper(II) coordination polymer based on l-arginine as a supramolecular hybrid inorganic–organic material: synthesis, structural, spectroscopic and magnetic properties

5,10-Dimesityldiindeno[1,2-:2′,1′-]phenanthrene: a stable biradicaloid derived from Chichibabin's hydrocarbon

New Dinuclear Macrocyclic Copper(II) Complexes as Potentially Fluorescent and Magnetic Materials

Formation and structural features of micelles formed by surfactin homologues

Density functional theory and ab initio studies on hyperfine coupling constants of phosphinyl radicals

Dihydroxy-Substituted Coumarins as Fluorescent Probes for Nanomolar-Level Detection of the 4-Amino-TEMPO Spin Label

Theoretical Characterisation of Phosphinyl Radicals and Their Magnetic Properties: g Matrix

The Bright and Dark Sides of Reactive Oxygen Species Generated by Copper–Peptide Complexes

Semiquinone radical anion isolated as an amorphous porous solid

Toward an Understanding of the Ambiguous Electron Paramagnetic Resonance Spectra of the Iminoxy Radical from o‑Fluorobenzaldehyde Oxime: Density Functional Theory and ab Initio Studies

Multinuclear Ni(II) and Cu(II) complexes of a meso 6 + 6 macrocyclic amine derived from trans -1,2-diaminocyclopentane and 2,6-diformylpyridine

o -Semiquinone radical anion isolated as an amorphous porous solid

Effects of Solvents, Ligand Aromaticity, and Coordination Sphere on the g Tensor of Anionic o-Semiquinone Radicals Complexed by Mg2+ Ions: DFT Studies

Dielectric-Optical Switches: Photoluminescent, EPR, and Magnetic Studies on Organic–Inorganic Hybrid (azetidinium)2MnBr4

Protonated o-semiquinone radical as a mimetic of the humic acids native radicals: A DFT approach to the molecular structure and EPR properties

DFT insight into o-semiquinone radicals and Ca2+ ion interaction: structure, g tensor, and stability

Redox reactions of a pyrazine-bridged Ru III (edta) binuclear complex: spectrochemical, spectroelectrochemical and theoretical studies

pH-dependent formation of Hg(II)-semiquinone complexes from natural phenols

Redox reactions of a pyrazine-bridged RuIII(edta) binuclear complex: spectrochemical, spectroelectrochemical and theoretical studies

Redox reactions of a pyrazine-bridged Ru(edta) binuclear complex: spectrochemical, spectroelectrochemical and theoretical studies

Dielectric-Optical Switches: Photoluminescent, EPR, and Magnetic Studies on Organic-Inorganic Hybrid (azetidinium) 2 MnBr 4

Understanding natural semiquinone radicals – Multifrequency EPR and relativistic DFT studies of the structure of Hg(II) complexes

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