Rath, Gabriel Copyright: © Lehrstuhl fuer Technische Thermodynamik der RWTH Aachen

Person

Gabriel Rath

M.Sc.
Chair and Institute of Technical Thermodynamics

Molecular Systems Engineering

Address

Building: 1300

Room: 216

Schinkelstraße 8

52062 Aachen

 

Publications

Source Author(s)
[Journal Article]
The first HyDRA challenge for computational vibrational spectroscopy
Physical chemistry, chemical physics, 25 (33), 22089-22102, 2023
[DOI: 10.1039/D3CP01216F]
Fischer, Taija L.
Bödecker, Margarethe
Schweer, Sophie M.
Dupont, Jennifer
Lepère, Valéria
et al.
[Preprint]
The first HyDRA challenge for computational vibrational spectroscopy, 2023
[DOI: 10.26434/chemrxiv-2023-wd261-v2]
Fischer, Taija L.
Bödecker, Margarethe
Schweer, Sophie M.
Dupont, Jennifer
Lepère, Valéria
et al.
[Journal Article]
Improved modeling of anharmonicity for furan microsolvation
Physical chemistry, chemical physics : PCCP, 25 (16), 11316-11323, 2023
[DOI: 10.1039/D2CP03907A]
Kopp, Wassja Alexander (Corresponding author)
Mödden, Matthias L. (Corresponding author)
Viswanathan, Narasimhan
Rath, Gabriel (Corresponding author)
Leonhard, Kai
[Dataset]
Supplementary Information for Prof Leonhard’s group submission for HyDRA challenge, 2022
[DOI: 10.18154/RWTH-2022-02243]
Viswanathan, Narasimhan
Nevolianis, Thomas
Rath, Gabriel
Kopp, Wassja Alexander
Leonhard, Kai
[Journal Article]
Coupled Anharmonic Thermochemistry from Stratified Monte Carlo Integration
Journal of chemical information and modeling, 61 (12), 5853-5870, 2021
[DOI: 10.1021/acs.jcim.1c00668]
Rath, Gabriel (Corresponding author)
Kopp, Wassja Alexander
Leonhard, Kai