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Material Type: Artigo
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Solvent Effects on the Electronic Spectra: An Extension of the Polarizable Continuum Model to the ZINDO MethodCaricato, Marco ; Mennucci, Benedetta ; Tomasi, JacopoThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-07, Vol.108 (29), p.6248-6256 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Solvent polarity scales revisited: a ZINDO-PCM study of the solvatochromism of betaine-30Caricato, Marco ; Mennucci, Benedetta ; Tomasi, JacopoMolecular physics, 2006-03, Vol.104 (5-7), p.875-887 [Periódico revisado por pares]Taylor & Francis GroupTexto completo disponível |
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Material Type: Artigo
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An ab initio time-dependent Hartree–Fock study of solvent effects on the polarizability and second hyperpolarizability of polyacetylene chains within the polarizable continuum modelChampagne, Benoı̂t ; Mennucci, Benedetta ; Cossi, Maurizio ; Cammi, Roberto ; Tomasi, JacopoChemical physics, 1998-11, Vol.238 (2), p.153-163 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |