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Results: 1 to 20 of 102

1.

Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials.

Domingo A, Vérot M, Mota F, de Graaf C, Novoa JJ, Robert V.

Phys Chem Chem Phys. 2013 May 14;15(18):6982-9. doi: 10.1039/c3cp44647f. Epub 2013 Apr 4.

PMID:
23552727
[PubMed]
2.

Inspection of the duality of a verdazyl-based radical in transition metal complexes: a pi* donor ligand and a magnetic partner.

Rota JB, Norel L, Train C, Ben Amor N, Maynau D, Robert V.

J Am Chem Soc. 2008 Aug 6;130(31):10380-5. doi: 10.1021/ja802027u. Epub 2008 Jul 9.

PMID:
18611021
[PubMed]
3.

Toward verdazyl radical-based materials: ab initio inspection of potential organic candidates for spin-crossover phenomenon.

Rota JB, Le Guennic B, Robert V.

Inorg Chem. 2010 Feb 1;49(3):1230-7. doi: 10.1021/ic902197f.

PMID:
20050597
[PubMed]
4.

Elucidating the 2D magnetic topology of the 'metal-radical' TTTA⋅Cu(hfac)2 system.

Vela S, Sopena A, Ribas-Arino J, Novoa JJ, Deumal M.

Chemistry. 2014 Jun 2;20(23):7083-90. doi: 10.1002/chem.201304712. Epub 2014 May 13.

PMID:
24824528
[PubMed - in process]
5.

Magnetic and conduction properties in 1D organic radical materials: an ab initio inspection for a challenging quest.

Vérot M, Rota JB, Kepenekian M, Le Guennic B, Robert V.

Phys Chem Chem Phys. 2011 Apr 14;13(14):6657-61. doi: 10.1039/c0cp02124e. Epub 2011 Mar 7.

PMID:
21380460
[PubMed]
6.

Strong supramolecular-based magnetic exchange in pi-stacked radicals. Structure and magnetism of a hydrogen-bonded verdazyl radical:hydroquinone molecular solid.

Hicks RG, Lemaire MT, Ohrström L, Richardson JF, Thompson LK, Xu Z.

J Am Chem Soc. 2001 Jul 25;123(29):7154-9.

PMID:
11459496
[PubMed]
7.

Microscopic origins of the ferromagnetic exchange coupling in oxoverdazyl-based Cu(II) complex.

Rota JB, Calzado CJ, Train C, Robert V.

J Chem Phys. 2010 Apr 21;132(15):154702. doi: 10.1063/1.3378023.

PMID:
20423193
[PubMed - indexed for MEDLINE]
8.

Electronic excited states of a strongly correlated organic radical 1,3,5-trithia-2,4,6-triazapentalenyl (TTTA) adsorbed on a Si(001) surface.

Shudo K, Satake T, Shimatsu T, Uchiyama M, Takeda J.

Phys Chem Chem Phys. 2013 Nov 28;15(44):19213-20. doi: 10.1039/c3cp52919c.

PMID:
24108348
[PubMed]
9.

Studying the origin of the antiferromagnetic to spin-canting transition in the beta-p-NCC6F4CNSSN* molecular magnet.

Deumal M, Rawson JM, Goeta AE, Howard JA, Copley RC, Robb MA, Novoa JJ.

Chemistry. 2010 Mar 1;16(9):2741-50. doi: 10.1002/chem.200903221.

PMID:
20140922
[PubMed]
10.
11.

Direct versus mediated through-space magnetic interactions: A first principles, bottom-up reinvestigation of the magnetism of the pyridyl-verdazyl:hydroquinone molecular co-crystal.

Jornet J, Deumal M, Ribas-Ariño J, Bearpark MJ, Robb MA, Hicks RG, Novoa JJ.

Chemistry. 2006 May 15;12(15):3995-4005.

PMID:
16534822
[PubMed]
12.

Coexistence of intramolecular ligand-mediated and through hydrogen-bond magnetic interactions in a chain of dicopper(II) units.

Costa JS, Bandeira NA, Le Guennic B, Robert V, Gamez P, Chastanet G, Ortiz-Frade L, Gasque L.

Inorg Chem. 2011 Jun 20;50(12):5696-705. doi: 10.1021/ic200480d. Epub 2011 May 27. Erratum in: Inorg Chem. 2011 Oct 3;50(19):9735.

PMID:
21618977
[PubMed]
13.

Switching magnetic interactions in the NiFe Prussian Blue Analogue: an ab initio inspection.

Krah T, Amor NB, Robert V.

Phys Chem Chem Phys. 2014 May 28;16(20):9509-14. doi: 10.1039/c4cp00662c.

PMID:
24722793
[PubMed - in process]
14.

Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).

Hafner J.

J Phys Condens Matter. 2008 Feb 13;20(6):060301. doi: 10.1088/0953-8984/20/06/060301. Epub 2008 Jan 24.

PMID:
21693862
[PubMed]
15.

Origin of the magnetic bistability in molecule-based magnets: a first-principles bottom-up study of the TTTA crystal.

Clarke CS, Jornet-Somoza J, Mota F, Novoa JJ, Deumal M.

J Am Chem Soc. 2010 Dec 22;132(50):17817-30. doi: 10.1021/ja1057746. Epub 2010 Nov 24.

PMID:
21105705
[PubMed]
16.

Towards understanding of magnetic interactions within a series of tetrathiafulvalene-pi conjugated-verdazyl diradical cation system: a density functional theory study.

Polo V, Alberola A, Andres J, Anthony J, Pilkington M.

Phys Chem Chem Phys. 2008 Feb 14;10(6):857-64. doi: 10.1039/b715315e. Epub 2007 Nov 23.

PMID:
18231689
[PubMed - indexed for MEDLINE]
17.

Structural, magnetic, and computational correlations of some imidazolo-fused 1,2,4-benzotriazinyl radicals.

Constantinides CP, Berezin AA, Manoli M, Leitus GM, Zissimou GA, Bendikov M, Rawson JM, Koutentis PA.

Chemistry. 2014 Apr 25;20(18):5388-96. doi: 10.1002/chem.201304538. Epub 2014 Mar 20.

PMID:
24652752
[PubMed - in process]
18.
19.

Tetranuclear and Octanuclear Manganese Carboxylate Clusters: Preparation and Reactivity of (NBu(n)(4))[Mn(4)O(2)(O(2)CPh)(9)(H(2)O)] and Synthesis of (NBu(n)(4))(2)[Mn(8)O(4)(O(2)CPh)(12)(Et(2)mal)(2)(H(2)O)(2)] with a "Linked-Butterfly" Structure.

Wemple MW, Tsai HL, Wang S, Claude JP, Streib WE, Huffman JC, Hendrickson DN, Christou G.

Inorg Chem. 1996 Oct 23;35(22):6437-6449.

PMID:
11666791
[PubMed - as supplied by publisher]
20.

The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials.

Vela S, Mota F, Deumal M, Suizu R, Shuku Y, Mizuno A, Awaga K, Shiga M, Novoa JJ, Ribas-Arino J.

Nat Commun. 2014 Jul 11;5:4411. doi: 10.1038/ncomms5411.

PMID:
25014436
[PubMed - in process]
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