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Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy.
Nenov A, Giussani A, Segarra-Martí J, Jaiswal VK, Rivalta I, Cerullo G, Mukamel S, Garavelli M. Nenov A, et al. J Chem Phys. 2015 Jun 7;142(21):212443. doi: 10.1063/1.4921016. J Chem Phys. 2015. PMID: 26049463 Free article.
The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Nenov et al., Comput. Theor. Chem. 1040-1041, 295-303 (2014)]. A wise reduction of the level of theory has then been performed in o …
The electronic excited states of adenine have been carefully characterized through a previously presented computational recipe [Ne …
87 results