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hal-00951091v1  Journal articles
Jean-Paul MalrieuCelestino AngeliRenzo Cimiraglia. On the Relative Merits of Non-Orthogonal and Orthogonal Valence Bond Methods Illustrated on the Hydrogen Molecule
Journal of Chemical Education, American Chemical Society, Division of Chemical Education, 2008, 85 (1), pp.P.150. ⟨10.1021/ed085p150⟩
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-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-01725102v1  Journal articles
Georges TrinquierJean-Paul Malrieu. Predicting the Open-Shell Character of Polycyclic Hydrocarbons in Terms of Clar Sextets
Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (4), pp.1088-1103. ⟨10.1021/acs.jpca.7b11095⟩
hal-01873571v1  Journal articles
Georges TrinquierI. PanfilovaJean-Paul Malrieu. Qualitative Views on the Polyradical Character of Long Acenes
Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (34), pp.6926-6933. ⟨10.1021/acs.jpca.8b03344⟩
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-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⟩