Published April 29, 2023
| Version v1
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Infrared action spectroscopy as tool for probing gas-phase dynamics: Protonated Dimethyl Ether ((CH3)2OH+) formed by the reaction of CH3OH2+ with CH3OH
- 1. University of Trento, Italy and University of Liverpool, UK
- 2. Radboud University, The Netherlands
- 3. University of Trento, Italy
Description
The series of folder contain the .log files from Gaussian(R) 16 of the different species and at different level of theories, as specified in the subfolders and filenames. The data refer to calculations that have been submitted for publication as an original research paper:
Title: "Infrared action spectroscopy as tool for probing gas-phase dynamics: Protonated Dimethyl Ether, (CH3)2OH+, formed by the reaction of CH3OH2+ with CH3OH
Journal: Molecular Physics
Authors: V. Richardson, D.B. Rap, S. Brünken and D. Ascenzi
Notes
The research leading to these results has received funding from LASERLAB-EUROPE (grant agreement no. 871124, European Union's Horizon 2020 research and innovation programme), from the Deutsche Forschungsgemeinschaft (DFG, grant SCHL 341/15–1), and from NWO Exact and Natural Sciences through the use of supercomputer facilities at SURFsara in Amsterdam (NWO Rekentijd grant 2021.055). This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska Curie grant agreement No 811312
for the project "Astro-Chemical Origins" (ACO) and from MUR PRIN 2020 project n. 2020AFB3FX "Astrochemistry beyond the second period elements".
Files
Log_files_calculations.zip
Files
(2.1 MB)
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