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Current stage and future development of Belgrade collisional and radiative databases/datasets of importance for molecular dynamics

Vujčić, Veljko, Marinković, Bratislav P., Srećković, Vladimir A., Tošić, Sanja, Jevremović, Darko, Ignjatović, Ljubinko M., Rabasović, Maja S., Šević, Dragutin, Simonović, Nenad, Mason, Nigel and others. (2023) Current stage and future development of Belgrade collisional and radiative databases/datasets of importance for molecular dynamics. Physical Chemistry Chemical Physics, 25 (40). pp. 26972-26985. ISSN 1463-9076. E-ISSN 1463-9084. (doi:10.1039/d3cp03752e) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided) (KAR id:103279)

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Atomic and molecular (A&M) databases that contain information about species, their identities and radiative/collisional processes are essential and helpful tools that are utilized in many fields of physics, chemistry, and chem/phys-informatics. Errors or inconsistencies in the datasets are a serious issue since they can lead to inaccurate predictions and generate problems with the modeling. This demonstrates that data curation efforts around A&M databases are still indispensable and that in the curation process studious attention is required. Therefore, we herein present research activities around Belgrade “nodes” – datasets of collision/radiative cross-sections and rates needed for spectroscopy analysis in various A&M, optical and plasma physics fields. Methodologies of our research and both present and future aspects of the applications are explained. We explored the possibility to extend our nodes towards building a new database on Judd–Ofelt parameters by using machine learning in order to predict optical properties of luminescence materials. In addition, we hope that public availability of our datasets and their graphical representations will also motivate others to investigate the potential of these data.

Item Type: Article
DOI/Identification number: 10.1039/d3cp03752e
Uncontrolled keywords: physical and theoretical chemistry, general physics and astronomy
Subjects: Q Science > QC Physics
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Funders: Ministry of Education, Science and Technological Development (
European Cooperation in Science and Technology (
SWORD Depositor: JISC Publications Router
Depositing User: JISC Publications Router
Date Deposited: 13 Oct 2023 14:19 UTC
Last Modified: 10 Apr 2024 15:10 UTC
Resource URI: (The current URI for this page, for reference purposes)

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