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	hal-01510461v1 Journal articles Nadia Ben Amor, Adrien Soupart, Marie-Catherine Heitz. Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex Journal of Molecular Modeling, Springer Verlag (Germany), 2017, 23 (2), pp.53. ⟨10.1007/s00894-017-3226-y⟩
	hal-02971214v1 Journal articles Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Paul Elliott, Isabelle Dixon. Theoretical study of the full photosolvolysis mechanism of [Ru(bpy)3]2+ : providing a general mechanistic road map for the photochemistry of [Ru(N^N)3]2+-type complexes towards both cis and trans photoproducts Inorganic Chemistry, American Chemical Society, 2020, 59 (20), pp.14679 - 14695. ⟨10.1021/acs.inorgchem.0c01843⟩
	hal-01741450v1 Journal articles Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Elliott Paul, Isabelle Dixon. Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry Inorganic Chemistry, American Chemical Society, 2018, 57, 6, pp.3192-3196. ⟨10.1021/acs.inorgchem.7b03229⟩
	hal-02490295v1 Journal articles Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Isabelle Dixon. On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods Inorganics, MDPI AG, 2020, 8 (2), pp.15. ⟨10.3390/inorganics8020015⟩
	hal-01741478v1 Journal articles Adrien Soupart, Isabelle Dixon, Fabienne Alary, Jean-Louis Heully. DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2018, 137 (37), 11 p. ⟨10.1007/s00214-018-2216-1⟩
	tel-02650802v1 Theses Adrien Soupart. Nouveau regard sur les propriétés photophysiques et photochimiques du complexe tris(2,2'-bipyridine) ruthénium II : apport de la DFT Chimie théorique et/ou physique. Université Paul Sabatier - Toulouse III, 2019. Français. ⟨NNT : 2019TOU30143⟩
	hal-02534402v1 Journal articles Adrien Soupart, Fabienne Alary, Jean-Louis Heully, Paul Elliott, Isabelle Dixon. Recent progress in ligand photorelease reaction mechanisms: Theoretical insights focusing on Ru(II) 3MC states Coordination Chemistry Reviews, Elsevier, 2020, 408, pp.213184. ⟨10.1016/j.ccr.2020.213184⟩
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