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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional

Marco Caricato1, Gary W Trucks1, Michael J Frisch1

  • 1Department of Chemistry, Yale University, 225 Prospect St., New Haven, Connecticut 06511 and Gaussian, Inc., 340 Quinnipiac. St Bldg. 40,Wallingford, Connecticut 06492.

Journal of Chemical Theory and Computation
|December 1, 2015
PubMed

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