Understanding and Controlling Intersystem Crossing in Molecules von Marian, Christel M

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Spin-Vibronic Mechanism for Intersystem Crossing von Penfold, Thomas J, Gindensperger, Etienne, Daniel, Chantal, Marian, Christel M

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Mechanism of the Triplet-to-Singlet Upconversion in the Assistant Dopant ACRXTN von Marian, Christel M

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Spin-orbit coupling and intersystem crossing in molecules von Marian, Christel M.

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The DFT/MRCI method von Marian, Christel M., Heil, Adrian, Kleinschmidt, Martin

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Rotationally Assisted Spin-State Inversion in Carbene–Metal–Amides Is an Artifact von Föller, Jelena, Marian, Christel M

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Climbing up the Ladder: Intermediate Triplet States Promote the Reverse Intersystem Crossing in the Efficient TADF Emitter ACRSA von Lyskov, Igor, Marian, Christel M

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On the performance of DFT/MRCI Hamiltonians for electronic excitations in transition metal complexes: The role of the damping function von Heil, Adrian, Kleinschmidt, Martin, Marian, Christel M.

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Redesign of the DFT/MRCI Hamiltonian von Lyskov, Igor, Kleinschmidt, Martin, Marian, Christel M.

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Simulating the full spin manifold of triplet‐pair states in a series of covalently linked TIPS‐pentacenes von Schulz, Timo, Marian, Christel M.

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Cyclic (Amino)(aryl)carbenes Enter the Field of Chromophore Ligands: Expanded π System Leads to Unusually Deep Red Emitting Cu I Compounds von Gernert, Markus, Balles-Wolf, Lukas, Kerner, Florian, Müller, Ulrich, Schmiedel, Alexander, Holzapfel, Marco, Marian, Christel M, Pflaum, Jens, Lambert, Christoph, Steffen, Andreas

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Internal conversion of singlet and triplet states employing numerical DFT/MRCI derivative couplings: Implementation, tests, and application to xanthone von Bracker, Mario, Marian, Christel M., Kleinschmidt, Martin

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Polarity-Tunable Luminescence and Intersystem Crossing of a Zinc(II) Diimine Dithiolate Complex von Putscher, Markus, Marian, Christel M.

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Persistent Room Temperature Phosphorescence from Triarylboranes: A Combined Experimental and Theoretical Study von Wu, Zhu, Nitsch, Jörn, Schuster, Julia, Friedrich, Alexandra, Edkins, Katharina, Loebnitz, Marcel, Dinkelbach, Fabian, Stepanenko, Vladimir, Würthner, Frank, Marian, Christel M., Ji, Lei, Marder, Todd B.

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Large Inverted Singlet–Triplet Energy Gaps Are Not Always Favorable for Triplet Harvesting: Vibronic Coupling Drives the (Reverse) Intersystem Crossing in Heptazine Derivatives von Dinkelbach, Fabian, Bracker, Mario, Kleinschmidt, Martin, Marian, Christel M

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Understanding the luminescence properties of Cu( i ) complexes: a quantum chemical perusal von Lüdtke, Nora, Föller, Jelena, Marian, Christel M.

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Structure–Emission Property Relationships in Cyclometalated Pt(II) β‑Diketonate Complexes von Heil, Adrian, Marian, Christel M

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Time-dependent approaches for the calculation of intersystem crossing rates von Etinski, Mihajlo, Tatchen, Jörg, Marian, Christel M.

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Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine von Etinski, Mihajlo, Fleig, Timo, Marian, Christel M

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R2022: A DFT/MRCI Ansatz with Improved Performance for Double Excitations von Dombrowski, Dennis R., Schulz, Timo, Kleinschmidt, Martin, Marian, Christel M.

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