Relaxation of Kohn-Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): the case of [sal(ph)en](2) Zn complexes - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Theoretical Chemistry Accounts: Theory, Computation, and Modeling Année : 2020

Relaxation of Kohn-Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): the case of [sal(ph)en](2) Zn complexes

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hal-02433302 , version 1 (05-06-2020)

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Walid Lamine, Salima Boughdiri, Lorraine Christ, Lynda Merzoud, Christophe Morell, et al.. Relaxation of Kohn-Sham orbitals of organometallic complexes during the approach of a nucleophilic reactant (or an electron approach): the case of [sal(ph)en](2) Zn complexes. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2020, 139, pp.Article number: 7. ⟨10.1007/s00214-019-2511-5⟩. ⟨hal-02433302⟩
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