双原子分子光谱常数数据库(DSCDM):一个动态和用户友好的分子物理和光谱学界面

IF 1.4 4区物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

Journal of Molecular Spectroscopy Pub Date : 2023-11-01 DOI:10.1016/j.jms.2023.111848

Yueqian Wang , Daniel Julian , Mahmoud A.E. Ibrahim , Connor Chin , Saketh Bhattiprolu , Ethan Franco , Jesús Pérez-Ríos

{"title":"双原子分子光谱常数数据库(DSCDM):一个动态和用户友好的分子物理和光谱学界面","authors":"Yueqian Wang , Daniel Julian , Mahmoud A.E. Ibrahim , Connor Chin , Saketh Bhattiprolu , Ethan Franco , Jesús Pérez-Ríos","doi":"10.1016/j.jms.2023.111848","DOIUrl":null,"url":null,"abstract":"<div><p>We present the database of spectroscopic constants of diatomic molecules (DSCDM), a website dedicated to the spectroscopic constants of ground and excited states of diatomics (<span>https://dscdm.physics.stonybrook.edu</span><svg><path></path></svg>). The database can be improved based on community feedback: the community as contributors may upload new data. Additionally, it counts on an Application Programming Interface (API) for molecular spectroscopy data retrieval to make the search process more efficient. On the other hand, the website presents a machine learning predictor of spectroscopic constants based on atomic properties and a new plotting tool to study the statistical distribution of spectroscopic constants.</p></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":"398 ","pages":"Article 111848"},"PeriodicalIF":1.4000,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy\",\"authors\":\"Yueqian Wang , Daniel Julian , Mahmoud A.E. Ibrahim , Connor Chin , Saketh Bhattiprolu , Ethan Franco , Jesús Pérez-Ríos\",\"doi\":\"10.1016/j.jms.2023.111848\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>We present the database of spectroscopic constants of diatomic molecules (DSCDM), a website dedicated to the spectroscopic constants of ground and excited states of diatomics (<span>https://dscdm.physics.stonybrook.edu</span><svg><path></path></svg>). The database can be improved based on community feedback: the community as contributors may upload new data. Additionally, it counts on an Application Programming Interface (API) for molecular spectroscopy data retrieval to make the search process more efficient. On the other hand, the website presents a machine learning predictor of spectroscopic constants based on atomic properties and a new plotting tool to study the statistical distribution of spectroscopic constants.</p></div>\",\"PeriodicalId\":16367,\"journal\":{\"name\":\"Journal of Molecular Spectroscopy\",\"volume\":\"398 \",\"pages\":\"Article 111848\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2023-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Spectroscopy\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022285223001133\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Spectroscopy","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022285223001133","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}

引用次数: 0

摘要

我们提出了双原子分子光谱常数数据库(DSCDM)，一个专门研究双原子分子基态和激发态光谱常数的网站(https://dscdm.physics.stonybrook.edu)。数据库可以根据社区反馈进行改进:作为贡献者的社区可以上传新数据。此外，它依靠应用程序编程接口(API)进行分子光谱数据检索，使搜索过程更加高效。另一方面，该网站提供了一个基于原子性质的光谱常数的机器学习预测器和一个新的绘图工具来研究光谱常数的统计分布。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy

查看原文本刊更多论文

The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy

We present the database of spectroscopic constants of diatomic molecules (DSCDM), a website dedicated to the spectroscopic constants of ground and excited states of diatomics (https://dscdm.physics.stonybrook.edu). The database can be improved based on community feedback: the community as contributors may upload new data. Additionally, it counts on an Application Programming Interface (API) for molecular spectroscopy data retrieval to make the search process more efficient. On the other hand, the website presents a machine learning predictor of spectroscopic constants based on atomic properties and a new plotting tool to study the statistical distribution of spectroscopic constants.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Journal of Molecular Spectroscopy 物理-光谱学

CiteScore

2.70

自引率

21.40%

发文量

审稿时长

29 days

期刊介绍： The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.