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

Bernardino Tirri, Gloria Mazzone, Alistar Ottochian, Jérôme Gomar, Umberto Raucci, Carlo Adamo, Ilaria Ciofini. A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study. Journal of Computational Chemistry, 42(15):1054-1063, 2021. [doi]

@article{TirriMOGRAC21,
  title = {A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study},
  author = {Bernardino Tirri and Gloria Mazzone and Alistar Ottochian and Jérôme Gomar and Umberto Raucci and Carlo Adamo and Ilaria Ciofini},
  year = {2021},
  doi = {10.1002/jcc.26505},
  url = {https://doi.org/10.1002/jcc.26505},
  researchr = {https://researchr.org/publication/TirriMOGRAC21},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {42},
  number = {15},
  pages = {1054-1063},
}