Excited States and Dynamics of Complex Photochromic Systems

Markus Oppel
University of Vienna (Universität Wien)
Institut für Theoretische Chemie, Institute of Theoretical Chemistry / Institut für Theoretische Chemie

VSC project / type: 71073 / funded

VSC-3 / status: 2017-10-20 - 2019-10-21 / active

Publications:

  • Menger Maximilian F. S. J., Plasser Felix, Mennucci Benedetta, Gonzalez Leticia
    Surface Hopping within an Exciton Picture. An Electrostatic Embedding Scheme
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14, 6139 (2018)

  • De Vetta Martina, Baig Omar, Steen Dorika, Nogueira Juan J., Gonzalez Leticia
    Assessing Configurational Sampling in the Quantum Mechanics/Molecular Mechanics Calculation of Temoporfin Absorption Spectrum and Triplet Density of States
    MOLECULES 23, 2932 (2018)

  • De Vetta Martina, Menger Maximilian F. S. J., Nogueira Juan J., Gonzalez Leticia
    Solvent Effects on Electronically Excited States: QM/Continuum Versus QM/Explicit Models
    JOURNAL OF PHYSICAL CHEMISTRY B 122, 2975 (2018)



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