Extending the ‘Grochala–Albrecht–Hoffmann approximation’ to the determination of the first excited state potential energy profile of a reaction step

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https://hal.archives-ouvertes.fr/hal-02202028
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Submitted on : Wednesday, July 31, 2019 - 3:16:17 PM
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Christophe Morell, Vanessa Labet, Paul Ayers, Nelly Jorge, André Grand. Extending the ‘Grochala–Albrecht–Hoffmann approximation’ to the determination of the first excited state potential energy profile of a reaction step. Chemical Physics Letters, Elsevier, 2010, 485 (4-6), pp.371-375. ⟨10.1016/j.cplett.2009.12.060⟩. ⟨hal-02202028⟩

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