Pure and Applied Chemistry

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• Malrieu Jean Paul, Caballol Rosa, Calzado Carmen J., de Graaf Coen, Guihéry Nathalie: Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians. Chem. Rev. 2014, 114, 429. <http://dx.doi.org/10.1021/cr300500z>
• Kirk Martin L., Shultz David A.: Transition metal complexes of donor–acceptor biradicals. Coordination Chemistry Reviews 2013, 257, 218. <http://dx.doi.org/10.1016/j.ccr.2012.07.007>
• Gopal Chilkuri Vijay, Trinquier Georges, Ben Amor Nadia, Malrieu Jean-Paul, Guihéry Nathalie: In Search of Organic Compounds Presenting a Double Exchange Phenomenon. J. Chem. Theory Comput. 2013, 9, 4805. <http://dx.doi.org/10.1021/ct4005855>
• Malrieu Jean-Paul: Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers. Chemical Phys 2011. <http://dx.doi.org/10.1016/j.chemphys.2011.11.005>
• Boilleau Corentin, Suaud Nicolas, Bastardis Roland, Guihéry Nathalie, Malrieu Jean Paul: Possible use of DFT approaches for the determination of double exchange interactions. Theor Chem Acc 2010, 126, 231. <http://dx.doi.org/10.1007/s00214-009-0671-4>
• Tsukerblat Boris: Group-theoretical approaches in molecular magnetism: Metal clusters. Inorg Chim Ada 2008, 361, 3746. <http://dx.doi.org/10.1016/j.ica.2008.03.012>
• Bastardis Roland, de Graaf Coen, Guihéry Nathalie: Ab initio study of the CE magnetic phase in half-doped manganites: Purely magnetic versus double exchange description. Phys Rev B 2008, 77, 054426. <http://dx.doi.org/10.1103/PhysRevB.77.054426>
• Bastardis Roland, Guihéry Nathalie, Suaud Nicolas: Relation between double exchange and Heisenberg model spectra: Application to the half-doped manganites. Phys Rev B 2007, 75, 132403. <http://dx.doi.org/10.1103/PhysRevB.75.132403>
• Guihéry Nathalie: The Double Exchange Phenomenon Revisited: The [Re2OCl10]3− Compound. Theor Chem Acc 2006, 116, 576. <http://dx.doi.org/10.1007/s00214-006-0103-7>
• Bastardis Roland, Guihéry Nathalie, Suaud Nicolas, de Graaf Coen: Competition between double exchange and purely magnetic Heisenberg models in mixed valence systems: Application to half-doped manganites. J Chem Phys 2006, 125, 194708. <http://dx.doi.org/10.1063/1.2375119>
• Bastardis Roland, Guihéry Nathalie, de Graaf Coen: Ab initio study of the Zener polaron spectrum of half-doped manganites: Comparison of several model Hamiltonians. Phys Rev B 2006, 74, 014432. <http://dx.doi.org/10.1103/PhysRevB.74.014432>
• Shultz David A., Kumar R. Krishna, Bin-Salamon Sofi, Kirk Martin L.: Valence tautomerization and exchange coupling in a cobalt–nitronylnitroxide–semiquinone complex. J Polyhedron 2005, 24, 2876. <http://dx.doi.org/10.1016/j.poly.2005.03.016>
• Taratiel David, Guihéry Nathalie: A refined model of the double exchange phenomenon: Test on the stretched N[sub 2][sup +] molecule. J Chem Phys 2004, 121, 7127. <http://dx.doi.org/10.1063/1.1786913>
• Belinsky Moisey I.: Antisymmetric double exchange and zero-field splittings in mixed-valence clusters. J Polyhedron 2003, 22, 2253. <http://dx.doi.org/10.1016/S0277-5387(03)00213-4>
• Belinsky Moisey I.: Antisymmetric double exchange in trimeric mixed-valence clusters. Chemical Phys 2003, 291, 1. <http://dx.doi.org/10.1016/S0301-0104(03)00151-4>
• Guihéry Nathalie, Malrieu Jean Paul: The double exchange mechanism revisited: An ab initio study of the [Ni[sub 2](napy)[sub 4]Br[sub 2]][sup +] complex. J Chem Phys 2003, 119, 8956. <http://dx.doi.org/10.1063/1.1614249>
• Klokishner S.I., Reu O.S.: Magnetic Field Effects in Charge-Ordered Mixed-Valence Trimeric Clusters. phys stat sol (b) 2002, 234, 611. <http://dx.doi.org/10.1002/1521-3951(200211)234:2<611::AID-PSSB611>3.0.CO;2-1>
• Solomon Edward I., Randall David W., Glaser Thorsten: Electronic structures of active sites in electron transfer metalloproteins: contributions to reactivity. Coord Chem Rev - 2000, 200-202, 595. <http://dx.doi.org/10.1016/S0010-8545(00)00332-5>
• Belinsky Moisey I.: High-order double exchange in mixed-valence [Fe(III)Fe(II)] cluster. Chemical Phys 1999, 240, 303. <http://dx.doi.org/10.1016/S0301-0104(98)00349-8>
• Borrás-Almenar J.J., Coronado E., Palii A.V., Tsukerblat B.S., Georges R.: Exchange transfer in high-nuclearity mixed valence magnetic clusters: Theoretical approach and expected manifestations. Chemical Phys 1998, 226, 231. <http://dx.doi.org/10.1016/S0301-0104(97)00292-9>
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• Borrás-Almenar J.J., Coronado E., Georges R., Palii A.V., Tsukerblat B.S.: Exchange-transfer in polynuclear mixed-valence clusters with one delocalized electron. Lett A 1996, 220, 342. <http://dx.doi.org/10.1016/0375-9601(96)00497-5>
• Borrás-Almenar J. J., Clemente J. M., Coronado E., Palii A. V., Tsukerblat B. S., Georges R.: High-nuclearity mixed-valence magnetic clusters: A general solution of the double exchange problem. J Chem Phys 1996, 105, 6892. <http://dx.doi.org/10.1063/1.471983>
• Borrás-Almenar J.J., Clemente J.M., Coronado E., Tsukerblat B.S.: Mixed-valence polyoxometalate clusters. I. Delocalization of electronic pairs in dodecanuclear heteropoly blues with keggin structure. Chemical Phys 1995, 195, 1. <http://dx.doi.org/10.1016/0301-0104(95)00009-D>
• Borrás-Almenar J.J., Coronado E., Tsukerblat B.S.: Magnetic mixed-valence d2-d1-d1 trimers with partial electron delocalization: vibronic coupling and magnetic properties. Chemical Phys 1993, 177, 1. <http://dx.doi.org/10.1016/0301-0104(93)80170-E>
• Borras-Almenar J.J., Coronado E., Georges R., Gomez-Garcia C.J.: Electron transfer in tetranuclear mixed-valence iron clusters. Role of the topology on the magnetic properties. Chemical Phys 1992, 166, 139. <http://dx.doi.org/10.1016/0301-0104(92)87014-Z>
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