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hal-01071976v1  Journal articles
Georges TrinquierVijay Gopal ChilkuriJean-Paul Malrieu. When a single hole aligns several spins: Double exchange in organic systems
Journal of Chemical Physics, American Institute of Physics, 2014, 140, pp.204113. ⟨10.1063/1.4878498⟩
hal-00937326v1  Journal articles
Vijay Gopal ChilkuriGeorges TrinquierNadia Ben AmorJean-Paul MalrieuNathalie Guihéry. In Search of Organic Compounds Presenting a Double Exchange Phenomenon
Journal of Chemical Theory and Computation, American Chemical Society, 2013, 9 (11), pp.4805-4815. ⟨10.1021/ct4005855⟩
hal-00968574v1  Journal articles
Mohamad Al HajjJean-Paul Malrieu. On the spin gaps of conjugated hydrocarbon polymers
Journal of Chemical Physics, American Institute of Physics, 2007, 127 (14), pp.144902. ⟨10.1063/1.2764028⟩
hal-00866257v1  Journal articles
Zexing QuShushu ZhangChungen LiuJean-Paul Malrieu. Communication: A dramatic transition from nonferromagnet to ferromagnet in finite fused-azulene chain.
Journal of Chemical Physics, American Institute of Physics, 2011, 134 (2), pp.021101/1-021101/4. ⟨10.1063/1.3533363⟩
hal-00952623v1  Journal articles
Peter ReinhardtH. ZhangJean-Paul Malrieu. A local contracted treatment of single and double excitations
Journal of Chemical Physics, American Institute of Physics, 2008, 129 (16), pp.164106. ⟨10.1063/1.2996126⟩
hal-01334696v1  Journal articles
Jean-Paul MalrieuGeorges Trinquier. Communication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicals
Journal of Chemical Physics, American Institute of Physics, 2016, 144, pp.211101. ⟨10.1063/1.4953040⟩
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hal-00016955v3  Journal articles
Mohamad Al HajjFabien AletSylvain CapponiMarie-Bernadette LepetitJean-Paul Malrieu et al.  Parity law of the singlet-triplet gap in graphitic ribbons
European Physical Journal B: Condensed Matter and Complex Systems, Springer-Verlag, 2006, 51, pp.517. ⟨10.1140/epjb/e2006-00259-9⟩
hal-00866164v1  Journal articles
Remi ChauvinChristine LepetitPaul FowlerJean-Paul Malrieu. The chemical roots of the matching polynomial
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2010, 12 (20), pp.5295-5306. ⟨10.1039/b923893j⟩
hal-01630743v1  Journal articles
Georges TrinquierJean-Paul Malrieu. Spreading out spin density in polyphenalenyl radicals
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (40), pp.27623-27642 ⟨10.1039/C7CP04930G⟩
hal-02937815v1  Journal articles
Roald HoffmannJean-Paul Malrieu. Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part A. Stage Setting
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2020, 59 (31), pp.12590-12610. ⟨10.1002/anie.201902527⟩
hal-02937870v1  Journal articles
Roald HoffmannJean-Paul Malrieu. Simulation vs. Understanding: A Tension, in Quantum Chemistry and Beyond. Part C. Toward Consilience
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2020, 59 (33), pp.13694-13710. ⟨10.1002/anie.201910285⟩
hal-01409123v1  Book sections
Jean-Paul MalrieuNicolas FerréNathalie Guihéry. Magnetic Properties of Conjugated Hydrocarbons from Topological Hamiltonians
Applications of Topological Methods in Molecular Chemistry, 22, pp.361-395, 2016, Challenges and Advances in Computational Chemistry and Physics, 978-3-319-29020-1. ⟨10.1007/978-3-319-29022-5_14⟩