545 citations · 888 across the 8 of their papers we have counts for
8 papers
Hybrid approach predicts a lower binding energy for benzene on water ice
Victoria H. J. Clark, David M. Benoit, Marie Van de Sande +1
In this paper we provide a highly accurate value for the binding energy of benzene to proton-ordered crystalline water ice (XIh), as a model for interstellar ices. We compare our c…
ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)
Sergei N. Yurchenko, Jonathan Tennyson, Anna-Maree Syme +15
A new silicon monoxide (SiO) line list covering infrared, visible and ultraviolet regions called SiOUVenIR is presented. This line list extends the infrared EBJT ExoM…
Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)
Alec Owens, Victoria H. J. Clark, Alexander Mitrushchenkov +2
The rovibronic (rotation-vibration-electronic) spectrum of the calcium monohydroxide radical (CaOH) is of interest to studies of exoplanet atmospheres and ultracold molecules. Here…
The vibrational properties of benzene on an ordered water ice surface
Victoria H. J. Clark, David M. Benoit
We present a hybrid CCSD(T)+PBE-D3 approach to calculating the vibrational signatures for gas phase benzene and benzene adsorbed on an ordered water-ice surface. We compare the res…
Modelling the non-local thermodynamic equilibrium spectra of silylene (SiH2)
Victoria H. J. Clark, Sergei N. Yurchenko
This paper sets out a robust methodology for modelling spectra of polyatomic molecules produced in reactive or dissociative environments, with vibrational populations outside local…
The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
Jonathan Tennyson, Sergei N. Yurchenko, Ahmed F. Al-Refaie +19
The ExoMol database (www.exomol.com) provides molecular data for spectroscopic studies of hot atmospheres. While the data is intended for studies of exoplanets and other astronomic…
The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH)
Victoria H. J. Clark, Alec Owens, Jonathan Tennyson +1
A rotation-vibration line list for the electronic ground state () of SiH is presented. The line list, named CATS, is suitable for temperatures up to 2000 K…
The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
Jonathan Tennyson, Sergei N. Yurchenko, Ahmed F. Al-Refaie +16
The ExoMol database (www.exomol.com) provides extensive line lists of molecular transitions which are valid over extended temperatures ranges. The status of the current release of…