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Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol

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Description scientific article published on 16 April 2018
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author: Francisco José Avila Ferrer  Daniel Aranda  Sergio Abbate  Giovanna Longhi  Fabrizio Santoro  Javier Cerezo  Giuseppe Mazzeo  Giacomo Prampolini 

Publication date April 16, 2018
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