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Theoretical justification of stable ferromagnetism in ferroelectric BiFeO3 by first-principles

Computational materials science, 2019-06, Vol.164, p.66-73

2019

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Generalized Stone-Wales transformation as the possible origin of ferromagnetism in polymeric C60: a density-functional theory study

The Journal of chemical physics, 2006-11, Vol.125 (17), p.174312-174312

2006

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Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first-principles study

Theoretical chemistry accounts, 2021-10, Vol.140 (10), Article 136

2021

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Magnetic coupling and spin ordering in bisdithiazolyl, thiaselenazolyl, and bisdiselenazolyl molecular materials

Dalton transactions : an international journal of inorganic chemistry, 2022-08, Vol.51 (34), p.1332-1345

2022

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New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO 3 2- species

Chemical science (Cambridge), 2015-01, Vol.6 (1), p.123-131

2015

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Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transition

Chemical communications (Cambridge, England), 2015-01, Vol.51 (87), p.15776-15779

2015

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Understanding trends in conductivity in four isostructural multifunctional crystals of Se substituted bis-dithiazolyl radicals

Journal of materials chemistry. C, Materials for optical and electronic devices, 2024-01, Vol.12 (2), p.468-48

2024

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Magnetic and electronic properties of KMn1-xMxBi (M = Cu, Mg, Zn) solid solutions

Solid state communications, 2023-03, Vol.362, p.115095, Article 115095

2023

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First-principles study of the coexisting ferroelectric and ferromagnetic properties of the La0.75Bi0.25CrO3 compound

Computational materials science, 2020-01, Vol.171, p.109262, Article 109262

2020

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Structural, electronic and ferroelectric properties of Zn93.75M6.25O (M = Sr, Ba): first-principles calculations

Scripta materialia, 2020-10, Vol.187, p.8-12

2020

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Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculations

Computational materials science, 2020-05, Vol.177, p.109575, Article 109575

2020

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New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32- species

Chemical science (Cambridge), 2015-01, Vol.6 (1), p.123-131

2015

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First-Principles study of the structural, electronic, magnetic, and ferroelectric properties of hypothetical La0.75Bi0.25Cr1-xFexO3 solid solutions

Materials today communications, 2021-06, Vol.27, p.102217, Article 102217

2021

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Self-Assembly of CuII and NiII [2 × 2] Grid Complexes and a Binuclear CuII Complex with a New Semiflexible Substituted Pyrazine Ligand: Multiple Anion Encapsulation and Magnetic Properties

Inorganic chemistry, 2004-02, Vol.43 (3), p.1021-1030

2004

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Structure and Magnetic Interactions in the Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp2]•+[TCNE]

Inorganic chemistry, 2009-04, Vol.48 (8), p.3296-3307

2009

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Generalized Stone-Wales transformation as the possible origin of ferromagnetism in polymeric C 60 : A density-functional theory study

The Journal of chemical physics, 2006-11, Vol.125 (17), p.174312-174312-6

2006

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Ferromagnetism in pressed polymerized C 60 solids induced by C 60 cage vacancies: A density-functional study

Physical review. B, Condensed matter and materials physics, 2006-01, Vol.73 (3), Article 035405

2006

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A new tetrameric CuII cluster with square topology exhibiting ferro- and antiferromagnetic magnetic pathways : which is which?

Chemical communications (Cambridge, England), 2004-05 (9), p.1102-1103

2004

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Evaluation of the capability of C60-fullerene to act as a magnetic coupling unit

The Journal of physics and chemistry of solids, 2004-04, Vol.65 (4), p.787-791

2004

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Broken Inter-C 60 Bonds as the Cause of Magnetism in Polymeric C 60 : A Density Functional Study Using C 60 Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-06, Vol.109 (23), p.4979-4982

2005

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Density-functional study of two Fe 4 -based single-molecule magnets

The Journal of chemical physics, 2005-08, Vol.123 (4), p.044303-044303-6

2005

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Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transitionElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cc06288h

2015-10

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The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C 60

Angewandte Chemie International Edition, 2004-01, Vol.43 (5), p.577-580

2004

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Molecules Designed to Contain Two Weakly Coupled Spins with a Photoswitchable Spacer

Chemistry : a European journal, 2017-10, Vol.23 (55), p.13648-13659

2017

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The template effect of a SiF62− guest drives the formation of a heteroleptic Fe(ii) coordination helicate

Chemical communications (Cambridge, England), 2022-09, Vol.58 (78), p.10969-10972

2022

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Theoretical justification of stable ferromagnetism in ferroelectric BiFeO3 by first-principles

Generalized Stone-Wales transformation as the possible origin of ferromagnetism in polymeric C60: a density-functional theory study

Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first-principles study

Magnetic coupling and spin ordering in bisdithiazolyl, thiaselenazolyl, and bisdiselenazolyl molecular materials

New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO 3 2- species

Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transition

Understanding trends in conductivity in four isostructural multifunctional crystals of Se substituted bis-dithiazolyl radicals

Magnetic and electronic properties of KMn1-xMxBi (M = Cu, Mg, Zn) solid solutions

First-principles study of the coexisting ferroelectric and ferromagnetic properties of the La0.75Bi0.25CrO3 compound

Structural, electronic and ferroelectric properties of Zn93.75M6.25O (M = Sr, Ba): first-principles calculations

Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculations

New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32- species

First-Principles study of the structural, electronic, magnetic, and ferroelectric properties of hypothetical La0.75Bi0.25Cr1-xFexO3 solid solutions

Self-Assembly of CuII and NiII [2 × 2] Grid Complexes and a Binuclear CuII Complex with a New Semiflexible Substituted Pyrazine Ligand: Multiple Anion Encapsulation and Magnetic Properties

Structure and Magnetic Interactions in the Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp2]•+[TCNE]

Generalized Stone-Wales transformation as the possible origin of ferromagnetism in polymeric C 60 : A density-functional theory study

Ferromagnetism in pressed polymerized C 60 solids induced by C 60 cage vacancies: A density-functional study

A new tetrameric CuII cluster with square topology exhibiting ferro- and antiferromagnetic magnetic pathways : which is which?

Evaluation of the capability of C60-fullerene to act as a magnetic coupling unit

Broken Inter-C 60 Bonds as the Cause of Magnetism in Polymeric C 60 : A Density Functional Study Using C 60 Dimers

Density-functional study of two Fe 4 -based single-molecule magnets

Towards the tailored design of benzotriazinyl-based organic radicals displaying a spin transitionElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cc06288h

The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C 60

Molecules Designed to Contain Two Weakly Coupled Spins with a Photoswitchable Spacer

The template effect of a SiF62− guest drives the formation of a heteroleptic Fe(ii) coordination helicate

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