Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states
Abstract Improving the accuracy of absolute energies associated with rovibronic quantum states of molecules requires accurate high-resolution spectroscopy measurements. Such experiments yield transition wavenumbers from which the energies can be deduced via inversion procedures. To address the probl...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2021-09-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-021-00534-y |