Charlotte Brückner

Electron Delocalization in Reduced Forms of 2-(BMes₂)pyrene and 2,7-Bis(BMes₂)pyrene

Lei Ji, Robert M. Edkins, Andreas Lorbach et al. · Journal of the American Chemical Society · 2015 · 158 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet–triplet gaps

Charlotte Brückner, Bernd Engels · Chemical Physics · 2016 · 53 citations

Natural Sciences, Chemistry, Physics +12

A theoretical description of charge reorganization energies in molecular organic P‐type semiconductors

Charlotte Brückner, Bernd Engels · Journal of Computational Chemistry · 2016 · 34 citations

Natural Sciences, Chemistry, Materials Science +13

Structure–Property Relationships for Exciton and Charge Reorganization Energies of Dipolar Organic Semiconductors: A Combined Valence Bond Self-Consistent Field and Time-Dependent Hartree-Fock and DFT Study of Merocyanine Dyes

Charlotte Brückner, Christof Walter, Matthias Stolte et al. · The Journal of Physical Chemistry C · 2015 · 31 citations · Full text

Natural Sciences, Chemistry, Physics +17

Structure–Property Relationships from Atomistic Multiscale Simulations of the Relevant Processes in Organic Solar Cells. I. Thermodynamic Aspects

Charlotte Brückner, Frank Würthner, Klaus Meerholz et al. · The Journal of Physical Chemistry C · 2016 · 28 citations

Natural Sciences, Materials Science, Physics +17