By Barone V. (ed.)
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Edit. 2007, 46, 405. 19. D. Jacquemin, E. A. Perpete, I. Ciofini, C. Adamo, Acc. Chem. Res. 2009, 42, 326. 20. T. Gustavsson, A. Banyasz, E. Lazzarotto, D. Markovitsi, G. Scalmani, M. J. Frisch, V. Barone, R. Improta, J. Am. Chem. Soc. 2006, 128, 607. 21. J. F. Briere, M. Cote, J. Phys. Chem. B 2004, 108, 3123. 22. O. Lopez-Acevedo, J. Rintala, S. Virtanen, C. Femoni, C. Tiozzo, H. Grnbeck, M. Pettersson, H. Hkkinen, J. Am. Chem. Soc. 2009, 131, 12573. 23. S. Grimme, J. Antony, T. Schwabe, C. M€uck-Lichtenfeld.
However, thanks to very recent methodological and computational advances [especially in the methods rooted in the time-dependent density functional theory 1 Configuration interaction singles (CISs); complete active-space self-consistent field (CASSCF) and its second-order perturbation counterpart (CASPT2); symmetry-adapted cluster configuration interaction (SAC-CI); double coupled cluster (CC2). 42 UV–VISIBLE ABSORPTION AND EMISSION ENERGIES IN CONDENSED PHASE (TD-DFT)][17, 18] it is nowadays possible to compute remarkably accurate absorption and emission spectra of sizable molecules in solution.
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Computational Strategies for Spectroscopy by Barone V. (ed.)