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CC2 Benchmark for Models of Phenylalanine Protein Chains: 0–0 Transition Energies and IR Signatures of the ππ* Excited State

 Mi-Song Dupuy , Eric Gloaguen , Benjamin Tardivel , Michel Mons , Valérie Brenner
Journal of Chemical Theory and Computation, 2020, 16 (1), pp.601-611. ⟨10.1021/acs.jctc.9b00923⟩
Article dans une revue hal-02451039v1