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Theoretical Excited-State Chemistry: New Developments and Cutting-Edge Applications

This special issue belongs to the section “Computational and Theoretical Chemistry“.

Special Issue Information

Dear Colleagues,

Chemical excited states are at the basis of new developments such as luminescent devices, fluorescence markers, energy generating and converting materials or photochemical synthetic methods, and they play a key role in biological contexts such as photosynthesis, photoactive proteins, or the reaction of DNA with light. They are also very challenging from the point of view of theory. In this Special Issue, we aim to provide a broad overview of the state of the art covering both applications and method development. This includes applications such as excited states of biomolecules, fluorescent markers, luminescent molecules and materials, photocatalysis, aggregation-induced emission, solar cell components and others, and methodological issues related with the description of excited states, their potential energy surfaces and dynamics. We hope that the forthcoming Issue will set the stage for new developments and open new perspectives in the field.

Prof. Dr. Lluís Blancafort
Dr. Annapaola Migani
Guest Editors

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Keywords

  • Photochemistry and photophysics
  • Excited-state dynamics
  • Methodological developments
  • Conical intersections
  • Aggregation-induced emission
  • Biomolecules
  • Fluorescent markers
  • Photocatalysis
  • Luminescent molecules and materials
  • Solar cell components

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Molecules - ISSN 1420-3049