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hal-00975856v1  Conference papers
Carmen J CalzadoJean-Paul MalrieuDaniel Maynau. Approaches to dealing with high-sized polynuclear systems with ab initio methods
International Conference on Computational Methods in Science and Engineering, Sep 2007, Corfu, Greece. pp.291-294
hal-00866886v1  Journal articles
Jean-Paul MalrieuHongjiang ZhangJing Ma. Is the dynamical polarization a significant part of the contribution of the triples to the correlation energy?
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2012, 131 (3), pp.1-7. ⟨10.1007/s00214-012-1156-4⟩
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-00835575v1  Journal articles
Jean-Paul MalrieuGeorges Trinquier. A recipe for geometry optimization of diradicalar singlet states from broken-symmetry calculations.
Journal of Physical Chemistry A, American Chemical Society, 2012, 116 (31), pp.8226-37. ⟨10.1021/jp303825x⟩
hal-00941075v1  Journal articles
Fabienne AlaryJean-Louis HeullyL. BijeirePatricia Vicendo. Is the 3MLCT the only photoreactive state of polypyridyl complexes?
Inorganic Chemistry, American Chemical Society, 2007, 46 (8), pp.3154-3165. ⟨10.1021/ic062193i⟩
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⟩