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Supplementary material: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules

<p>Supplementary material to the manuscript: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules</p> <p>Composed of three files:</p> <p>1. nh3_efg.zip - compressed folder containing Fortran 90 program, together with the input/output examples and README file, for computing the electric field gradient tensor of NH3.</p> <p>2. nh3_linelist.tar - contains compressed file with the rovibrational line list of NH3 with quadrupole coupling components, together with the Python scripts for extracting desired transitions and README file.</p> <p>nh3_qmom_suppinfo.pdf - PDF file with equations skipped in the main manuscript.</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0

Topics

Dataset details

Repository
zenodo
Published
August 30, 2017
License
cc-by-4.0
DOI
10.5281/zenodo.855338

Scored with release 0.9.0

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