Continuum vs. atomistic approaches to computational spectroscopy of solvated systems

Molecular spectral signals can be significantly altered by solvent effects. Among the many theoretical approaches to this problem, continuum and atomistic solvation models have emerged as the most effective for properly describing solvent effects on the spectroscopic signal. In this feature article,...

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Veröffentlicht in:	Chemical communications (Cambridge, England) England), 2023-05, Vol.59 (38), p.5644-5660
Hauptverfasser:	Giovannini, Tommaso, Cappelli, Chiara
Format:	Artikel
Sprache:	eng
Schlagworte:	Molecular spectra Solvation Solvent effect
Online-Zugang:	Volltext
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