Jan-Michael Mewes
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Explore the profile of Jan-Michael Mewes including associated specialties, affiliations and a list of published articles.
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37
Citations
558
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Recent Articles
1.
Kunze L, Hansen A, Grimme S, Mewes J
J Phys Chem Lett
. 2025 Jan;
16(4):1114-1125.
PMID: 39846377
With their narrow-band emission, high quantum yield, and good chemical stability, multiresonance thermally activated delayed fluorescence (MR-TADF) emitters are promising materials for OLED technology. However, accurately modeling key properties, such...
2.
Rose T, Bursch M, Mewes J, Grimme S
Inorg Chem
. 2024 Sep;
63(41):19364-19374.
PMID: 39334529
Lanthanides (Ln) and actinides (An) have recently become important tools in biomedical and materials science. However, the development of computational methods able to describe such elements in various environments has...
3.
Kunze L, Froitzheim T, Hansen A, Grimme S, Mewes J
J Phys Chem Lett
. 2024 Jul;
15(31):8065-8077.
PMID: 39083761
Efficient OLEDs need to quickly convert singlet and triplet excitons into photons. Molecules with an inverted singlet-triplet energy gap (INVEST) are promising candidates for this task. However, typical INVEST molecules...
4.
Froitzheim T, Kunze L, Grimme S, Herbert J, Mewes J
J Phys Chem A
. 2024 Jul;
128(30):6324-6335.
PMID: 39028862
Charge-transfer (CT) excited states are crucial to organic light-emitting diodes (OLEDs), particularly to those based on thermally activated delayed fluorescence (TADF). However, accurately modeling CT states remains challenging, even with...
5.
Plett C, Stahn M, Bursch M, Mewes J, Grimme S
J Phys Chem Lett
. 2024 Feb;
15(9):2462-2469.
PMID: 38407047
We present the Dynamic Radii Adjustment for COntinuum solvation (DRACO) approach, which employs precomputed atomic partial charges and coordination numbers of the solute atoms to improve the solute cavity. As...
6.
Friede M, Ehlert S, Grimme S, Mewes J
J Chem Theory Comput
. 2023 Nov;
19(22):8097-8107.
PMID: 37955590
For ground- and excited-state studies of large molecules, it is the state of the art to combine (time-dependent) DFT with dispersion-corrected range-separated hybrid functionals (RSHs), which ensures an asymptotically correct...
7.
Froitzheim T, Grimme S, Mewes J
J Chem Theory Comput
. 2022 Nov;
18(12):7702-7713.
PMID: 36409831
The energy gap between the lowest singlet and triplet excited states (Δ) is a key property of thermally activated delayed fluorescence (TADF) emitters, where these states are dominated by charge-transfer...
8.
Bursch M, Mewes J, Hansen A, Grimme S
Angew Chem Int Ed Engl
. 2022 Sep;
61(42):e202205735.
PMID: 36103607
Nowadays, many chemical investigations are supported by routine calculations of molecular structures, reaction energies, barrier heights, and spectroscopic properties. The lion's share of these quantum-chemical calculations applies density functional theory...
9.
Jin T, Bolte M, Lerner H, Mewes J, Wagner M
Chemistry
. 2022 Sep;
28(64):e202202234.
PMID: 36094675
2,3-Difluoro-5,14-dihydro-5,14-diborapentacene (DBP) was endowed with two vicinal Ph P groups by an S Ar reaction at both CF sites using Ph PSiMe . Computations reveal the ambipolar product P to...
10.
Florez E, Smits O, Mewes J, Jerabek P, Schwerdtfeger P
J Chem Phys
. 2022 Aug;
157(6):064304.
PMID: 35963734
As early as 1975, Pitzer suggested that copernicium, flerovium, and oganesson are volatile substances behaving like noble gas because of their closed-shell configurations and accompanying relativistic effects. It is, however,...