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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2032778889> ?p ?o ?g. }

• W2032778889 abstract "The theory and an implementation of the solvent contribution to the cubic response function for the polarizable continuum model for multiconfigurational self-consistent field wave functions is presented. The excited-state polarizability of benzene, para-nitroaniline, and nitrobenzene has been obtained from the double residue of the cubic response function calculated in the presence of an acetonitrile and dioxane solvent. The calculated excited-state polarizabilities are compared to results obtained from the linear response function of the explicitly optimized excited states." @default.
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• W2032778889 date "2010-01-13" @default.
• W2032778889 modified "2023-10-17" @default.
• W2032778889 title "Excited-state polarizabilities of solvated molecules using cubic response theory and the polarizable continuum model" @default.
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• W2032778889 doi "https://doi.org/10.1063/1.3291026" @default.
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