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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
Contributor : Isabelle Navizet <>
Submitted on : Tuesday, June 15, 2021 - 6:35:05 PM
Last modification on : Wednesday, June 16, 2021 - 3:27:19 AM

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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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