Published November 27, 2023
| Version v1
Dataset
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Gas-Phase vs. Grain-Surface Formation of Interstellar Complex Organic Molecules: A Comprehensive Quantum-Chemical Study
Description
This dataset contains the cartesian coordinates of the optimized minima and transition states for the reactions under study, in XYZ format.
ASW references to the amorphous solid water model, CWS to the crystalline water surface model, and GAS to the reactions studied under gas-phase conditions.
Files
Gas-phase_vs_grain-surface_formation_iCOMs.zip
Files
(146.5 kB)
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md5:f7661bda59a6c797ee27ce78ddb7c0c1
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Additional details
Related works
- Is published in
- Publication: 10.3390/ijms242316824 (DOI)