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Professorin Dr. Christel M. Marian

Address Heinrich-Heine-Universität Düsseldorf
Institut für Theoretische Chemie
Universitätsstraße 1
40225 Düsseldorf

Projects

As Applicant
- Current projects
  - Electronic coupling of multiexcitonic states: Development of quantum chemical methods and their application to singlet fission and triplet fusion (Research Grants)
  - Achieving NIR circularly polarized luminescence (CPL) by triad change of d10 systems (Priority Programmes)
- Completed projects
  - Development and application of programm package for the efficient description of spin-orbit related properties of large molecules (Research Grants)
  - Computergestütztes Templatedesign: de novo-Entwurf und rationale Optimierung (Research Grants)
  - Relativistische Quantenchemie in Aktiniden- und ultrakalten Molekülen; neue relativistische Elektronenkorrelationsmethoden (Research Grants)
  - Mechanisms of light-induced triplet activation: MELITA (Research Grants)
  - Eine neue quantenchemische Methode für exzitonische Kopplung in kovalent gebundenen Bi- und Multichromophoren und für Singulettspaltung (Research Grants)
  - Understanding Thermally Activated Delayed Fluorescence in Cu(I) Complexes and Metal-Free Donor-Acceptor Systems: A Quantum Chemical Approach (Research Grants)
  - Design and Parameterization of a DFT/MRCI Hamiltonian for Radicals with Odd Numbers of Electrons (Research Grants)
  - Exploration of Zn(II) complexes for efficient phosphorescence and TADF (Priority Programmes)
As Leader
- Completed projects
  - Compute Cluster mit 31 Knoten (Major Research Instrumentation)
As Spokesperson
- Completed projects
  - SFB 663: Molecular Response to Electronic Excitation (Collaborative Research Centres)
As Participating Researcher
- Completed projects
  - GRK 2482: Modulation of Intersystem Crossing - ModISC (Research Training Groups)
As Project Head
- Completed projects
  - Ab-initio-Berechnung von Reaktionen molekularer Vorläufer und NMR-chemische Verschiebungen (Collaborative Research Centres)
  - Parameterisierung von Kraftfeldern (Collaborative Research Centres)
  - Quantenchemische Bestimmung von spinmagnetischen Wechselwirkungen und Singulett-Triplett-Kopplungen mit Multireferenz-Konfigurationswechselwirkungs- Methoden (Collaborative Research Centres)
  - Zentrales Verwaltungsprojekt (Collaborative Research Centres)
As Participating Person
- Completed projects
  - Non-adiabatic dynamics of electronically excited linear polyenes: learning from small and medium-sized for long polyenes and their biological function (Research Grants)

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