Thomas Froitzheim

10PUBLICATIONS
17CO-AUTHORS
Nonlinear optics and spectroscopyTransport properties and non-equilibrium processesTheoretical quantum chemistryInterior designElectrochemical energy storage and conversion
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Publications (10)

|Sep 04, 2026
Vibrational Spectra, Conformations, and Optical Rotation of Aqueous Amino Acids: Zwitterions of L-Alanine and L-Valine.

|Aug 05, 2026
q-vSZPs: A polarized, adaptive minimal Gaussian basis set for the elements Z = 1-86 designed for efficient mean-field electronic structure calculations.

|Jun 23, 2026
A Molecular "Thermometer" for Measuring Effective Non-Local Exchange.

|Sep 02, 2025
On the performance of DFT/MRCI for singlet-triplet gaps and emission energies of thermally activated delayed fluorescence molecules.

Mike Pauls, Thomas Froitzheim, Alexei Torgashov

|Aug 26, 2025
Mind the gaps: what the STGABS27 set can teach about second-order excited state methods, solvent models, and charge transfer.

Thomas Froitzheim, Christof Hättig, Jan-Michael Mewes

|Dec 02, 2024
Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements Z = 1-103.

Marcel Müller, Thomas Froitzheim, Andreas Hansen

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Frequent Collaborators

8 joint publications

Stefan Grimme

6 joint publications

Jan-Michael Mewes

3 joint publications

Andreas Hansen

3 joint publications

Marcel Müller