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Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 104, 2006 - Issue 5-7: A Special Issue in Honour of Professor Michael Albert Robb

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Bulk ferromagnetism in nitronyl nitroxide crystals: a first principles bottom-up comparative study of four bulk nitronyl nitroxide ferromagnets (KAXHAS, YOMYII, LICMIT and YUJNEW)

Mercè Deumal Departament de Química Física, Facultat de Química, Universitat de Barcelona and CERQT, Parc Científic, Universitat de Barcelona, Martí i Franquès 1, 08028-Barcelona, Spain

Fernando Mota Departament de Química Física, Facultat de Química, Universitat de Barcelona and CERQT, Parc Científic, Universitat de Barcelona, Martí i Franquès 1, 08028-Barcelona, Spain

Michael J. Bearpark Chemistry Department, Imperial College London, South Kensington Campus, London, SW7 2AZ, UK

Michael A. Robb Chemistry Department, Imperial College London, South Kensington Campus, London, SW7 2AZ, UK

Juan J. Novoa Departament de Química Física, Facultat de Química, Universitat de Barcelona and CERQT, Parc Científic, Universitat de Barcelona, Martí i Franquès 1, 08028-Barcelona, SpainCorrespondence[email protected]

Pages 857-873 | Received 01 Jun 2005, Accepted 15 Sep 2005, Published online: 21 Feb 2007

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https://doi.org/10.1080/00268970500417879

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Articles from other publishers (20)

Joel S. Miller, Fernando Mota & Juan J. Novoa. (2022) Origin of the magnetic couplings for the weak ferromagnet Li+[TCNE]•- (TCNE = Tetracyanoethylene). Polyhedron 221, pages 115871.
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Mirosław Arczyński & Dawid Pinkowicz. (2020) Influence of the Increasing Number of Organic Radicals on the Structural, Magnetic, and Electrochemical Properties of the Copper(II)–Dioxothiadiazole Family of Complexes. Inorganic Chemistry 59:18, pages 13489-13501.
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Tommaso Francese, Jordi Ribas-Arino, Juan J. Novoa, Remco W.A. Havenith, Ria Broer, Coen de Graaf & Mercè Deumal. (2018) The magnetic fingerprint of dithiazolyl-based molecule magnets. Physical Chemistry Chemical Physics 20:31, pages 20406-20416.
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Kyoung Chul Ko, Daeheum Cho & Jin Yong Lee. (2013) Scaling Approach for Intramolecular Magnetic Coupling Constants of Organic Diradicals. The Journal of Physical Chemistry A 117:16, pages 3561-3568.
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Kyoung Chul Ko, Daeheum Cho & Jin Yong Lee. (2012) Systematic Approach To Design Organic Magnetic Molecules: Strongly Coupled Diradicals with Ethylene Coupler. The Journal of Physical Chemistry A 116:25, pages 6837-6844.
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Lucie Norel, Jean-Baptiste Rota, Lise-Marie Chamoreau, Guillaume Pilet, Vincent Robert & Cyrille Train. (2011) Spin Transition and Exchange Interaction: Janus Visions of Supramolecular Spin Coupling between Face-to-Face Verdazyl Radicals. Angewandte Chemie International Edition 50:31, pages 7128-7131.
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Lucie Norel, Jean‐Baptiste Rota, Lise‐Marie Chamoreau, Guillaume Pilet, Vincent Robert & Cyrille Train. (2011) Spin Transition and Exchange Interaction: Janus Visions of Supramolecular Spin Coupling between Face‐to‐Face Verdazyl Radicals. Angewandte Chemie 123:31, pages 7266-7269.
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J. J. Novoa, M. Deumal & J. Jornet-Somoza. (2011) Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets. Chemical Society Reviews 40:6, pages 3182.
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Mercè Deumal, Jeremy M. Rawson, Andrés E. Goeta, Judith A. K. Howard, Royston C. B. Copley, Michael A. Robb & Juan J. Novoa. (2010) Studying the Origin of the Antiferromagnetic to Spin-Canting Transition in the β-p-NCC6F4CNSSN. Molecular Magnet. Chemistry - A European Journal 16:9, pages 2741-2750.
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J. Jornet-Somoza, M. Deumal, M. A. RobbC. P. Landee, M. M. Turnbull, R. Feyerherm & J. J. Novoa. (2010) First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S = 1 / 2 Antiferromagnetic Crystal . Inorganic Chemistry 49:4, pages 1750-1760.
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Lucie Norel, Lise-Marie Chamoreau & Cyrille Train. (2010) Modulation of intermolecular exchange interaction in organic radical based compounds: Magneto-structural analysis of phenol and imidazolium substituted oxoverdazyl radicals. Polyhedron 29:1, pages 342-348.
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Joaquim Jornet-Somoza, Mercè Deumal, Mark M. Turnbull & Juan J. Novoa. (2009) On the existence of temperature induced changes in the magnetic topology of crystals that show no first-order crystallographic phase transitions. Polyhedron 28:9-10, pages 1965-1971.
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C.S. Clarke, J. Jornet, M. Deumal & J.J. Novoa. (2009) The origin of the bistability in the thiazyl radical 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA): A first principles bottom-up investigation of the magnetic properties of its high temperature polymorph. Polyhedron 28:9-10, pages 1614-1619.
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Joe B. Gilroy, Martin T. Lemaire, Brian O. Patrick & Robin G. Hicks. (2009) Structure and magnetism of a verdazyl radical clathrate hydrate. Strong intermolecular magnetic interactions derived from π-stacking within ice-like channels. CrystEngComm 11:10, pages 2180.
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A. I. Potapov, D. V. Stass, E. Yu. Fursova, N. N. Lukzen, G. V. Romanenko, V. I. Ovcharenko & Yu. N. Molin. (2008) Searching for the Exchange Shift: a Set of Test Systems. Applied Magnetic Resonance 35:1, pages 43-55.
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J. Jornet, M.A. Robb, M. Deumal & J.J. Novoa. (2008) A first-principles bottom-up study of the magnetic interaction mechanism in the bulk ferromagnet p-O2N-C6F4-CNSSN. Inorganica Chimica Acta 361:12-13, pages 3586-3592.
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Lixin Li, Mark M. Turnbull, Christopher P. Landee, Joaquim Jornet, Mercè Deumal, Juan J. Novoa & Jan L. Wikaira. (2007) Synthesis, Structure, and Magnetic Behavior of Bis(2-amino-5-fluoropyridinium) Tetrachlorocuprate(II). Inorganic Chemistry 46:26, pages 11254-11265.
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F. Matthew Woodward, Pamela J. Gibson, Geoffrey B. Jameson, Christopher P. Landee, Mark M. Turnbull & Roger D. Willett. (2007) Two-Dimensional Heisenberg Antiferromagnets: Syntheses, X-ray Structures, and Magnetic Behavior of [Cu(pz) 2 ](ClO 4 ) 2 , [Cu(pz) 2 ](BF 4 ) 2 , and [Cu(pz) 2 (NO 3 )](PF 6 ) . Inorganic Chemistry 46:10, pages 4256-4266.
Crossref

Alexander Shapiro, Christopher P. Landee, Mark M. Turnbull, Joaquim Jornet, Mercè Deumal, Juan J. Novoa, Michael A. Robb & William Lewis. (2007) Synthesis, Structure, and Magnetic Properties of an Antiferromagnetic Spin-Ladder Complex: Bis(2,3-dimethylpyridinium) Tetrabromocuprate. Journal of the American Chemical Society 129:4, pages 952-959.
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Joaquim Jornet, Mercè Deumal, Jordi Ribas‐Ariño, Michael J. Bearpark, Michael A. Robb, Robin G. Hicks & Juan J. Novoa. (2006) Direct versus Mediated Through‐Space Magnetic Interactions: A First Principles, Bottom‐Up Reinvestigation of the Magnetism of the Pyridyl‐Verdazyl:Hydroquinone Molecular Co‐Crystal. Chemistry – A European Journal 12:15, pages 3995-4005.
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Bulk ferromagnetism in nitronyl nitroxide crystals: a first principles bottom-up comparative study of four bulk nitronyl nitroxide ferromagnets (KAXHAS, YOMYII, LICMIT and YUJNEW)

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Bulk ferromagnetism in nitronyl nitroxide crystals: a first principles bottom-up comparative study of four bulk nitronyl nitroxide ferromagnets (KAXHAS, YOMYII, LICMIT and YUJNEW)

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