Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins
(2015)
Journal Article
Hanson-Heine, M. W., Wrigglesworth, A., Uroos, M., Calladine, J. A., Murphy, T. S., Hamilton, M., Clark, I. P., Towrie, M., Dowden, J., Besley, N. A., & George, M. W. (2015). Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins. Journal of Chemical Physics, 142(15), 1-7. https://doi.org/10.1063/1.4917311
In contrast to the ground state, the calculation of the infrared (IR) spectroscopy of molecular singlet excited states represents a substantial challenge. Here we use the structural IR fingerprint of the singlet excited states of a range of coumarin... Read More about Calculating singlet excited states: comparison with fast time-resolved infrared spectroscopy of coumarins.