Research Data Leeds Repository

CH2I2 Spectral Data

Lehman, Julia and Roberts, Frances (2021) CH2I2 Spectral Data. University of Leeds. [Dataset] https://doi.org/10.5518/1083

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,
Subjects: F000 - Physical sciences > F100 - Chemistry > F170 - Physical chemistry
Divisions: Faculty of Mathematics and Physical Sciences > School of Chemistry
Related resources:
LocationType
https://doi.org/10.1063/5.0081836Publication
https://eprints.whiterose.ac.uk/183911/Publication
License: Creative Commons Attribution 4.0 International (CC BY 4.0)
Date deposited: 24 Feb 2022 16:55
URI: http://archive.researchdata.leeds.ac.uk/id/eprint/928

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