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Mewes, Jan‐Michael
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1

Improving Quantum Chemical Solvation Models by Dynamic Radi..:

Plett, Christoph ; Stahn, Marcel ; Bursch, Markus..
The Journal of Physical Chemistry Letters.  15 (2024)  9 - p. 2462-2469 , 2024
Link: https://doi.org/10.1021/..
 
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2

ΔDFT Predicts Inverted Singlet–Triplet Gaps with Chemical A..:

Kunze, Lukas ; Froitzheim, Thomas ; Hansen, Andreas..
The Journal of Physical Chemistry Letters.  15 (2024)  31 - p. 8065-8077 , 2024
Link: https://doi.org/10.1021/..
 
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3

Benchmarking Charge-Transfer Excited States in TADF Emitter..:

Froitzheim, Thomas ; Kunze, Lukas ; Grimme, Stefan..
The Journal of Physical Chemistry A.  128 (2024)  30 - p. 6324-6335 , 2024
Link: https://doi.org/10.1021/..
 
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4

Do Optimally Tuned Range-Separated Hybrid Functionals Requi..:

Friede, Marvin ; Ehlert, Sebastian ; Grimme, Stefan.
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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5

Best‐Practice DFT Protocols for Basic Molecular Computation..:

Bursch, Markus ; Mewes, Jan‐Michael ; Hansen, Andreas.
Angewandte Chemie International Edition.  61 (2022)  42 - p. , 2022
Link: https://doi.org/10.1002/..
 
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6

Best‐Practice DFT Protocols for Basic Molecular Computation..:

Bursch, Markus ; Mewes, Jan‐Michael ; Hansen, Andreas.
Angewandte Chemie.  134 (2022)  42 - p. , 2022
Link: https://doi.org/10.1002/..
 
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7

From the gas phase to the solid state: The chemical bonding..:

Florez, Edison ; Smits, Odile R. ; Mewes, Jan-Michael..
The Journal of Chemical Physics.  157 (2022)  6 - p. , 2022
Link: https://doi.org/10.1063/..
 
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8

Eliminating the Reverse ISC Bottleneck of TADF Through Exci..:

Yersin, Hartmut ; Czerwieniec, Rafał ; Mataranga‐Popa, Larisa...
Advanced Functional Materials.  32 (2022)  34 - p. , 2022
Link: https://doi.org/10.1002/..
 
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9

Exploring Structure–Property Relations of B,S-Doped Polycyc..:

Jin, Tao ; Kunze, Lukas ; Breimaier, Stefanie...
Journal of the American Chemical Society.  144 (2022)  30 - p. 13704-13716 , 2022
Link: https://doi.org/10.1021/..
 
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10

Either Accurate Singlet–Triplet Gaps or Excited-State Struc..:

Froitzheim, Thomas ; Grimme, Stefan ; Mewes, Jan-Michael
Journal of Chemical Theory and Computation.  18 (2022)  12 - p. 7702-7713 , 2022
Link: https://doi.org/10.1021/..
 
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11

Charge‐Transfer Transitions Govern the Reactivity and Photo..:

Jin, Tao ; Bolte, Michael ; Lerner, Hans‐Wolfram..
Chemistry – A European Journal.  28 (2022)  64 - p. , 2022
Link: https://doi.org/10.1002/..
 
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12

PCM-ROKS for the Description of Charge-Transfer States in S..:

Kunze, Lukas ; Hansen, Andreas ; Grimme, Stefan.
The Journal of Physical Chemistry Letters.  12 (2021)  35 - p. 8470-8480 , 2021
Link: https://doi.org/10.1021/..
 
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13

Exclusively Relativistic: Periodic Trends in the Melting an..:

Mewes, Jan‐Michael ; Schwerdtfeger, Peter
Angewandte Chemie International Edition.  60 (2021)  14 - p. 7703-7709 , 2021
Link: https://doi.org/10.1002/..
 
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14

Ausschließlich relativistisch: Periodische Trends in den Sc..:

Mewes, Jan‐Michael ; Schwerdtfeger, Peter
Angewandte Chemie.  133 (2021)  14 - p. 7782-7788 , 2021
Link: https://doi.org/10.1002/..
 
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15

r2SCAN-3c: A "Swiss army knife" composite electronic-struct..:

Grimme, Stefan ; Hansen, Andreas ; Ehlert, Sebastian.
The Journal of Chemical Physics.  154 (2021)  6 - p. , 2021
Link: https://doi.org/10.1063/..
 
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