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List of works by Philipp Pracht

Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods

scientific article published on 28 April 2022

Automated exploration of the low-energy chemical space with fast quantum chemical methods

scientific article published on 19 February 2020

Calculation of absolute molecular entropies and heat capacities made simple

scientific article published in 2021

Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra

scientific article published on 15 October 2020

High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra

scientific article published in 2021

Theoretical study on conformational energies of transition metal complexes

scientific article published on 18 December 2020

Towards understanding solvation effects on the conformational entropy of non-rigid molecules

scientific article published in 2022

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