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The Database of Spectroscopic Constants of Diatomic Molecules

POSTER

Abstract

In the big data era researchers in the physical sciences have access to a great variety of experimental data from various sources, which requires that this data be organized and easily accessible for its most efficient use. To best meet the needs of the scientific community, we present the Database of Spectroscopic Constants of Diatomic Molecules (DSCDM), a user-friendly website database for the spectroscopic constants of diatomic molecules for the ground and excited states. Our database currently contains spectroscopic constant data for 343 molecules. Additionally, we provide a portal for the submission of spectroscopic constant data to facilitate the expansion of the database through open collaboration with others in the scientific community. Other features of our database include an API explorer, a plotting tool to visualize the distributions of our data, a search engine to easily find specific molecules, a machine learning-powered spectroscopic constant predictor, and the ability to download our database as a CSV file.

Publication: Yueqian Wang, Daniel Julian, Mahmoud A.E. Ibrahim, Connor Chin, Saketh Bhattiprolu, Ethan Franco, Jesús Pérez-Ríos,<br>The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy, Journal of Molecular Spectroscopy, Volume 398, 2023, 111848, ISSN 0022-2852,<br>https://doi.org/10.1016/j.jms.2023.111848.

Presenters

  • Daniel B Julian

    Stony Brook University (SUNY)

Authors

  • Daniel B Julian

    Stony Brook University (SUNY)

  • Yueqian Wang

    Stony Brook University (SUNY)

  • Mahmoud Ibrahim

    Stony Brook University (SUNY)

  • Connor Chin

    Stony Brook University (SUNY)

  • Saketh Bhattiprolu

    Stony Brook University (SUNY)

  • Ethan Franco

    Stony Brook University (SUNY)

  • Jesus Rios

    Stony Brook University, Stony Brook University(SUNY), Stony Brook University (SUNY), Stonybrook University