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Mewes, Jan-Michael
170  Ergebnisse:
Personensuche X
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1

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

Froitzheim, Thomas ; Kunze, Lukas ; Grimme, Stefan..
The Journal of Physical Chemistry A.  , 2024
Link: https://doi.org/10.1021/..
 
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2

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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3

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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4

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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5

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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6

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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7

It's Complicated: On Relativistic Effects and Periodic Tren..:

Löffelsender, Sarah ; Schwerdtfeger, Peter ; Grimme, Stefan.
Journal of the American Chemical Society.  144 (2021)  1 - p. 485-494 , 2021
Link: https://doi.org/10.1021/..
 
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8

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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9

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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10

Extension and evaluation of the D4 London-dispersion model ..:

Caldeweyher, Eike ; Mewes, Jan-Michael ; Ehlert, Sebastian.
Physical Chemistry Chemical Physics.  22 (2020)  16 - p. 8499-8512 , 2020
Link: https://doi.org/10.1039/..
 
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11

Accurate elemental boiling points from first principles:

Mewes, Jan-Michael ; Smits, Odile R.
Physical Chemistry Chemical Physics.  22 (2020)  41 - p. 24041-24050 , 2020
Link: https://doi.org/10.1039/..
 
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12

Solid Oganesson via a Many-Body Interaction Expansion Based..:

Jerabek, Paul ; Smits, Odile R. ; Mewes, Jan-Michael..
The Journal of Physical Chemistry A.  123 (2019)  19 - p. 4201-4211 , 2019
Link: https://doi.org/10.1021/..
 
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13

Exploring the chemical nature of super-heavy main-group ele..:

Trombach, Lukas ; Ehlert, Sebastian ; Grimme, Stefan..
Physical Chemistry Chemical Physics.  21 (2019)  33 - p. 18048-18058 , 2019
Link: https://doi.org/10.1039/..
 
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14

Correction to "Solid Oganesson via a Many-Body Interaction ..:

Jerabek, Paul ; Smits, Odile R. ; Mewes, Jan-Michael..
The Journal of Physical Chemistry A.  123 (2019)  38 - p. 8333-8333 , 2019
Link: https://doi.org/10.1021/..
 
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15

Modeling TADF in organic emitters requires a careful consid..:

Mewes, Jan-Michael
Physical Chemistry Chemical Physics.  20 (2018)  18 - p. 12454-12469 , 2018
Link: https://doi.org/10.1039/..
 
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