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 |