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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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Published on: January 25, 2020

Comparison of CIS- and EOM-CCSD-calculated adiabatic excited-state structures. Changes in charge density on going to

Kenneth B Wiberg1, Yi-gui Wang, Anselmo E de Oliveira

  • 1Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.

The Journal of Physical Chemistry. A
|July 13, 2006
PubMed

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