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Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Interface

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https://hal-upec-upem.archives-ouvertes.fr/hal-03261607
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Submitted on : Tuesday, June 15, 2021 - 6:35:05 PM
Last modification on : Tuesday, October 19, 2021 - 4:10:57 PM

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Ana Borrego-Sánchez, Madjid Zemmouche, Javier Carmona-García, Antonio Francés-Monerris, Pep Mulet, et al.. Multiconfigurational Quantum Chemistry Determinations of Absorption Cross Sections (σ) in the Gas Phase and Molar Extinction Coefficients (ε) in Aqueous Solution and Air–Water Interface. Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (6), pp.3571-3582. ⟨10.1021/acs.jctc.0c01083⟩. ⟨hal-03261607⟩

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