Thomas Froitzheim

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 8

Top Topics

Molecular Docking

Positron Emission Tomography

Cystic Fibrosis

Top Venues

Chemistry (Weinheim an der Bergstrasse, Germany)

The journal of physical chemistry letters

The journal of physical chemistry. A

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Thomas Froitzheim, Lukas Kunze, Stefan Grimme, John M Herbert, Jan-Michael Mewes
Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies. The journal of physical chemistry. A (2024)
Alexander S Scholz, Julian G Massoth, Lennart Stoess, Michael Bolte, Markus Braun, Hans-Wolfram Lerner, Jan-Michael Mewes, Matthias Wagner, Thomas Froitzheim
NBN- and BNB-Phenalenyls: the Yin and Yang of Heteroatom-doped π Systems. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (27) (2024)
Lukas Kunze, Thomas Froitzheim, Andreas Hansen, Stefan Grimme, Jan-Michael Mewes
ΔDFT Predicts Inverted Singlet-Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches. The journal of physical chemistry letters 15 (31) (2024)
Lukas Kunze, Thomas Froitzheim, Andreas Hansen, Stefan Grimme, Jan-Michael Mewes
ΔDFT Predicts Inverted Singlet-Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches. The journal of physical chemistry letters (2024)
Thomas Froitzheim, Lukas Kunze, Stefan Grimme, John M Herbert, Jan-Michael Mewes
Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies. The journal of physical chemistry. A 128 (30) (2024)
Alexander S Scholz, Julian G Massoth, Lennart Stoess, Michael Bolte, Markus Braun, Hans-Wolfram Lerner, Jan-Michael Mewes, Matthias Wagner, Thomas Froitzheim
NBN- and BNB-Phenalenyls: the Yin and Yang of Heteroatom-doped π Systems. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (27) (2024)
Alexander S Scholz, Julian G Massoth, Lennart Stoess, Michael Bolte, Markus Braun, Hans-Wolfram Lerner, Jan-Michael Mewes, Matthias Wagner, Thomas Froitzheim
NBN- and BNB-Phenalenyls: the Yin and Yang of Heteroatom-doped π Systems. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Thomas Froitzheim, Stefan Grimme, Jan-Michael Mewes
Either Accurate Singlet-Triplet Gaps or Excited-State Structures: Testing and Understanding the Performance of TD-DFT for TADF Emitters. Journal of chemical theory and computation (2022)