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Comp-Photo-Chem
The Group of Felix Plasser at Loughborough

Diketopyrrolopyrroles

FelixSeptember 20, 2022

Our new paper Using diketopyrrolopyrroles to stabilize double excitation and control internal conversion, led by Mariana do Casal and Mario Barbatti from Aix Marseille University, just appeared in PCCP. This work highlights how double excitation character can support internal conversion. Wavefunction analysis using TheoDORE sheds light into the wavefunctions involved.

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  • Post-Doc Position on the Dynamics of High-Energy Materials November 14, 2023
  • Ionic states October 19, 2023
  • Welcome Umatur and James October 9, 2023
  • Interview – EuChemS magazine July 24, 2023
  • Release of TheoDORE 3.1 June 13, 2023

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aromaticity Columbus Dynamics exciton Lanthanides OpenMolcas Photochemistry Quantum chemistry Software Spectroscopy Synthesis TheoDORE Transition metal complexes Two-photon absorption Updates Wavefunction analysis
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