[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 …
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
The ExoMol database (www. exomol. com) provides molecular data for spectroscopic
studies of hot atmospheres. These data are widely used to model atmospheres of …
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 …
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
The methodological advances made in recent years have significantly extended the range
and dimensionality of noncovalently bound, hydrogen-bonded and van der Waals …
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
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 …
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 …
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 …
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 …
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
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 …
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 …
width over large temperature ranges and the temperature dependence of the line shift, even …