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| hal-00952085v1
Journal articles
Carbo-[3]oxocarbon and its isomers: evaluation of the stability and of the electron delocalization Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2008, 10, pp.3578-3589. ⟨10.1039/B718817J⟩  |
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| hal-00952074v1
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Direct Evaluation of Cyclic Contributions to the pi Energy of Conjugated Hydrocarbons from Strongly Localized Zero-Order Pictures Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (50), pp.13203-13214. ⟨10.1021/jp802839n⟩ |
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| hal-01442316v1
Journal articles
Effective group potentials: a powerful tool for hybrid QM/MM methods? Journal of Molecular Structure: THEOCHEM, Elsevier, 2003, 632 (1-3), pp.43 - 59. ⟨10.1016/S0166-1280(03)00287-2⟩ |
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| hal-00838539v1
Journal articles
Theoretical characterization of the lowest triplet excited states of the tris-(1,4,5,8-tetraazaphenanthrene) ruthenium dication complex. Inorganic Chemistry, American Chemical Society, 2008, 47 (12), pp.5259-66. ⟨10.1021/ic800246t⟩ |
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