Research Data Leeds Repository
CH2I2 Spectral Data
Citation
Lehman, Julia and Roberts, Frances (2021) CH2I2 Spectral Data. University of Leeds. [Dataset] https://doi.org/10.5518/10831
Dataset description
Dataset for the full experimental CH2I2 spectrum covering 2932.6 to 3125.4 cm-1, the raw pgopher simulation, extracted spectrum, and line list for each nu_1 simulation and nu_6 simulation, the computational results for 5 different method and basis set combinations, and the computational pgoper simulational and extracted spectrum for the wB97X_def2QZVPP computational results.
Keywords: | rovibrational spectroscopy, diiodomethane, direct freqency comb spectroscopy, | ||||||
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Subjects: | F000 - Physical sciences > F100 - Chemistry > F170 - Physical chemistry2 | ||||||
Divisions: | Faculty of Engineering and Physical Sciences > School of Chemistry3 | ||||||
Related resources: |
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License: | Creative Commons Attribution 4.0 International (CC BY 4.0) | ||||||
Date deposited: | 24 Feb 2022 16:55 | ||||||
URI: | https://archive.researchdata.leeds.ac.uk/id/eprint/9286 | ||||||
Files
Documentation
Data
- 1. https://doi.org/10.5518/1083
- 2. https://archive.researchdata.leeds.ac.uk/view/subjects/F170.html
- 3. https://archive.researchdata.leeds.ac.uk/view/divisions/CHEM/
- 4. https://doi.org/10.1063/5.0081836
- 5. https://eprints.whiterose.ac.uk/183911/
- 6. https://archive.researchdata.leeds.ac.uk/id/eprint/928
- 7. https://orcid.org/0000-0001-6610-6519
- 8. https://orcid.org/0000-0002-2094-8785
- 9. mailto:j.lehman@leeds.ac.uk
- 10. https://archive.researchdata.leeds.ac.uk/928/7/readme.txt
- 11. https://archive.researchdata.leeds.ac.uk/928/7/readme.txt
- 12. https://archive.researchdata.leeds.ac.uk/928/7/readme.txt
- 13. https://archive.researchdata.leeds.ac.uk/928/7/readme.txt
- 14. https://archive.researchdata.leeds.ac.uk/928/1/CH2I2_full_experimental_spectrum.txt
- 15. https://archive.researchdata.leeds.ac.uk/928/1/CH2I2_full_experimental_spectrum.txt
- 16. https://archive.researchdata.leeds.ac.uk/928/1/CH2I2_full_experimental_spectrum.txt
- 17. https://archive.researchdata.leeds.ac.uk/928/1/CH2I2_full_experimental_spectrum.txt
- 18. https://archive.researchdata.leeds.ac.uk/928/2/CH2I2_nu_6_experimental_simulations.zip
- 19. https://archive.researchdata.leeds.ac.uk/928/2/CH2I2_nu_6_experimental_simulations.zip
- 20. https://archive.researchdata.leeds.ac.uk/928/2/CH2I2_nu_6_experimental_simulations.zip
- 21. https://archive.researchdata.leeds.ac.uk/928/2/CH2I2_nu_6_experimental_simulations.zip
- 22. https://archive.researchdata.leeds.ac.uk/928/3/CH2I2_nu_1_experimental_simulations.zip
- 23. https://archive.researchdata.leeds.ac.uk/928/3/CH2I2_nu_1_experimental_simulations.zip
- 24. https://archive.researchdata.leeds.ac.uk/928/3/CH2I2_nu_1_experimental_simulations.zip
- 25. https://archive.researchdata.leeds.ac.uk/928/3/CH2I2_nu_1_experimental_simulations.zip
- 26. https://archive.researchdata.leeds.ac.uk/928/4/CH2I2_nu_6_computational_simulation.zip
- 27. https://archive.researchdata.leeds.ac.uk/928/4/CH2I2_nu_6_computational_simulation.zip
- 28. https://archive.researchdata.leeds.ac.uk/928/4/CH2I2_nu_6_computational_simulation.zip
- 29. https://archive.researchdata.leeds.ac.uk/928/4/CH2I2_nu_6_computational_simulation.zip
- 30. https://archive.researchdata.leeds.ac.uk/928/5/CH2I2_nu_1_computational_simulation.zip
- 31. https://archive.researchdata.leeds.ac.uk/928/5/CH2I2_nu_1_computational_simulation.zip
- 32. https://archive.researchdata.leeds.ac.uk/928/5/CH2I2_nu_1_computational_simulation.zip
- 33. https://archive.researchdata.leeds.ac.uk/928/5/CH2I2_nu_1_computational_simulation.zip
- 34. https://archive.researchdata.leeds.ac.uk/928/6/Computational_Outputs.zip
- 35. https://archive.researchdata.leeds.ac.uk/928/6/Computational_Outputs.zip
- 36. https://archive.researchdata.leeds.ac.uk/928/6/Computational_Outputs.zip
- 37. https://archive.researchdata.leeds.ac.uk/928/6/Computational_Outputs.zip