Nuclear quantum effects in water and aqueous systems: Experiment, theory, and current challenges
Nuclear quantum effects influence the structure and dynamics of hydrogen-bonded systems,
such as water, which impacts their observed properties with widely varying magnitudes. This …
such as water, which impacts their observed properties with widely varying magnitudes. This …
Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase
The purpose of this review is to demonstrate advances, challenges and perspectives of
quantum chemical approaches in molecular spectroscopy of the condensed phase …
quantum chemical approaches in molecular spectroscopy of the condensed phase …
[HTML][HTML] The HITRAN2016 molecular spectroscopic database
This paper describes the contents of the 2016 edition of the HITRAN molecular
spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 …
spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 …
[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 …
The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
The ExoMol database (www. exomol. com) provides extensive line lists of molecular
transitions which are valid over extended temperature ranges. The status of the current …
transitions which are valid over extended temperature ranges. The status of the current …
Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)
J Tennyson, PF Bernath, A Campargue… - Pure and Applied …, 2014 - degruyter.com
The report of an IUPAC Task Group, formed in 2011 on “Intensities and line shapes in high-
resolution spectra of water isotopologues from experiment and theory”(Project No. 2011-022 …
resolution spectra of water isotopologues from experiment and theory”(Project No. 2011-022 …
The 2015 edition of the GEISA spectroscopic database
N Jacquinet-Husson, R Armante, NA Scott… - Journal of Molecular …, 2016 - Elsevier
The GEISA database (Gestion et Etude des Informations Spectroscopiques Atmosphériques:
Management and Study of Atmospheric Spectroscopic Information) has been developed …
Management and Study of Atmospheric Spectroscopic Information) has been developed …
[HTML][HTML] The W2020 database of validated rovibrational experimental transitions and empirical energy levels of water isotopologues. II. H217O and H218O with an …
The W2020 database of validated experimental transitions and accurate empirical energy
levels of water isotopologues, introduced in the work of Furtenbacher et al.[J. Phys. Chem …
levels of water isotopologues, introduced in the work of Furtenbacher et al.[J. Phys. Chem …
Accurate empirical rovibrational energies and transitions of H 2 16 O
Several significant improvements are proposed to the computational molecular
spectroscopy protocol MARVEL (Measured Active Rotational–Vibrational Energy Levels) …
spectroscopy protocol MARVEL (Measured Active Rotational–Vibrational Energy Levels) …