Multiconfigurational SCF and short-range DFT combined with polarizable density embedding: Comparison of linear-response and state-specific solvatochromic shifts of acrolein and para-nitrophenolate in water

Willem Van Den Heuvel, Peter Reinholdt, Hans Jørgen Aa Jensen, Jacob Kongsted*

*Kontaktforfatter

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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Fysik og astronomi

Teknik og materialevidenskab

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