Related papers: Molecular diatomic spectroscopy data
Quantitative spectroscopy is a powerful technique from which we can extract information about the physical properties and surface chemical composition of stars. In this chapter, I guide the reader through the main ideas required to get…
Computational chemistry has become an important complement to experimental measurements. In order to choose among the multitude of the existing approximations, it is common to use benchmark data sets, and to issue recommendations based on…
Data-driven models of stellar spectra are useful tools to study non-stellar information, such as the Diffuse Interstellar Bands (DIBs) caused by intervening interstellar material. Using $\sim 55000$ spectra of $\sim 17000$ red clump stars…
Absorption-line spectroscopy is a powerful tool used to estimate element abundances in the nearby as well as distant universe. The accuracy of the abundances thus derived is, naturally, limited by the accuracy of the atomic data assumed for…
The optical frequency comb has made a significant impact in precision spectroscopy and on our ability to probe atomic, molecular and, recently, nuclear transitions to further our understanding of their fundamental properties and how their…
Models of stellar spectra are necessary for interpreting light from individual stars, planets, integrated stellar populations, nebulae, and the interstellar medium. We provide a comprehensive and homogeneous collection of synthetic spectra…
Sphere packings are essential to the development of physical models for powders, composite materials, and the atomic structure of the liquid state. There is a strong scientific need to be able to assess the fit of packing models to data,…
Characterization of the electronic band structure of solid state materials is routinely performed using photoemission spectroscopy. Recent advancements in short-wavelength light sources and electron detectors give rise to multidimensional…
We present Full SMS, a multipurpose graphical user interface (GUI)-based software package for analysing single-molecule spectroscopy (SMS) data. SMS typically delivers multiparameter data -- such as fluorescence brightness, lifetime, and…
Spectroscopy is one of the most important tools that an astronomer has for studying the universe. This chapter begins by discussing the basics, including the different types of optical spectrographs, with extension to the ultraviolet and…
The availability of both structured and unstructured databases, such as electronic health data, social media data, patent data, and surveys that are often updated in real time, among others, has grown rapidly over the past decade. With this…
Small molecules in biological samples are studied to provide information about disease states, environmental toxins, natural product drug discovery, and many other applications. The primary window into the composition of small molecule…
Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…
SpectraPlot is a web-based application for simulating spectra of atomic and molecular gases. At the time this manuscript was written, SpectraPlot consisted of four primary tools for calculating: 1) atomic and molecular absorption spectra,…
It is important to understand the origin of molecular line intensities and chemical composition in the molecular-cloud scale in the Galactic sources because it serves as a benchmark to compare with the chemical compositions of extragalactic…
We review some aspects of the current state of data-intensive astronomy, its methods, and some outstanding data analysis challenges. Astronomy is at the forefront of "big data" science, with exponentially growing data volumes and data…
In conventional optical Stark-shift spectroscopy, molecules are exposed to spatially homogeneous static electric fields that shift the energies of their spectral lines. These shifts are attributed to the molecular electronic properties,…
Theoretical calculations are contributing a significantly higher proportion of data to contemporary spectroscopic databases, which have traditionally relied on experimental observations and semi-empirical models. It is now a common…
Compositional data represent a specific family of multivariate data, where the information of interest is contained in the ratios between parts rather than in absolute values of single parts. The analysis of such specific data is…
Background. Emerging technologies now allow for mass spectrometry based profiling of up to thousands of small molecule metabolites (metabolomics) in an increasing number of biosamples. While offering great promise for revealing insight into…