A combined Monte Carlo/ DFT approach to simulate UV ‐vis spectra of molecules and aggregates: Merocyanine dyes as a case study

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Authors: Bernardino Tirri, Gloria Mazzone, Alistar Ottochian, Jerôme Gomar, Umberto Raucci, Carlo Adamo, Ilaria Ciofini

Journal title: Journal of Computational Chemistry

Journal number: 42/15

Journal publisher: John Wiley & Sons Inc.

Published year: 2021

Published pages: 1054-1063

DOI identifier: 10.1002/jcc.26505

ISSN: 0192-8651