[HTML][HTML] The HITRAN2020 molecular spectroscopic database

IE Gordon, LS Rothman, RJ Hargreaves… - Journal of quantitative …, 2022 - Elsevier
The HITRAN database is a compilation of molecular spectroscopic parameters. It was
established in the early 1970s and is used by various computer codes to predict and …

[HTML][HTML] The 2024 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres

J Tennyson, SN Yurchenko, J Zhang… - Journal of Quantitative …, 2024 - Elsevier
The ExoMol database (www. exomol. com) provides molecular data for spectroscopic
studies of hot atmospheres. These data are widely used to model atmospheres of …

ExoMol molecular line lists XXX: a complete high-accuracy line list for water

OL Polyansky, AA Kyuberis, NF Zobov… - Monthly Notices of …, 2018 - academic.oup.com
ABSTRACT A new line list for HO is presented. This line list, which is called POKAZATEL,
includes transitions between rotational–vibrational energy levels up to 41 000 cm− 1 and is …

Noncovalently bound molecular complexes beyond diatom–diatom systems: full-dimensional, fully coupled quantum calculations of rovibrational states

PM Felker, Z Bačić - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The methodological advances made in recent years have significantly extended the range
and dimensionality of noncovalently bound, hydrogen-bonded and van der Waals …

Absolute 13C/12C isotope amount ratio for Vienna PeeDee Belemnite from infrared absorption spectroscopy

AJ Fleisher, H Yi, A Srivastava, OL Polyansky… - Nature physics, 2021 - nature.com
Measurements of isotope ratios are predominantly made with reference to standard
specimens that have been characterized in the past. In the 1950s, the carbon isotope ratio …

Novel methodology for systematically constructing global effective models from ab initio-based surfaces: A new insight into high-resolution molecular spectra analysis

M Rey - The Journal of Chemical Physics, 2022 - pubs.aip.org
In this paper, a novel methodology is presented for the construction of ab initio effective
rotation–vibration spectroscopic models from potential energy and dipole moment surfaces …

Improved and always improving: Reference formulations for thermophysical properties of water

AH Harvey, J Hrubý, K Meier - Journal of Physical and Chemical …, 2023 - pubs.aip.org
This Review presents the state of knowledge of the thermophysical properties of water in all
its phases and the reference formulations that provide standardized, recommended values …

[HTML][HTML] Ab initio calculation of fluid properties for precision metrology

G Garberoglio, C Gaiser, RM Gavioso… - Journal of Physical …, 2023 - pubs.aip.org
Recent advances regarding the interplay between ab initio calculations and metrology are
reviewed, with particular emphasis on gas-based techniques used for temperature and …

[HTML][HTML] W2020: A database of validated rovibrational experimental transitions and empirical energy levels of H216O

T Furtenbacher, R Tóbiás, J Tennyson… - Journal of Physical …, 2020 - pubs.aip.org
A detailed understanding of the complex rotation–vibration spectrum of the water molecule
is vital for many areas of scientific and human activity, and thus, it is well studied in a number …

On the temperature dependence of half-widths and line shifts for molecular transitions in the microwave and infrared regions

RR Gamache, B Vispoel - Journal of Quantitative Spectroscopy and …, 2018 - Elsevier
An expression was developed that correctly models the temperature dependence of the half-
width over large temperature ranges and the temperature dependence of the line shift, even …