Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Victoria H. J. Clark"'
Autor:
Apoorva Upadhyay, Wilfrid Somogyi, Sergei N. Yurchenko, B. D. Cooper, Anna-Maree Syme, Juan C. Zapata Trujillo, Ahmad Y. Adam, Thomas Meltzer, Qianwei Qu, C. Pria Dobney, A. E. Lynas-Gray, Mikhail Semenov, Victoria H. J. Clark, Shaun T. E. Donnelly, Maire N. Gorman, Jonathan Tennyson, Alec Owens, Samuel Wright
Publikováno v:
Monthly Notices of the Royal Astronomical Society. 510:903-919
A new silicon monoxide (28Si16O) line list covering infrared, visible, and ultraviolet regions called SiOUVenIR is presented. This line list extends the infrared EBJT ExoMol line list by including vibronic transitions to the $A\, {}^{1}\Pi$ and $E\,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52d3b3485a9cbc8cf5e3dad5f592700d
https://doi.org/10.1093/mnras/stab3267
https://doi.org/10.1093/mnras/stab3267
Autor:
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 results of our method against experimentally recorded spectra and calcu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c07019196792d7eaa0e2d786fcf3460a
http://arxiv.org/abs/2107.08826
http://arxiv.org/abs/2107.08826
Autor:
Wilfrid Somogyi, B. D. Cooper, Victoria H. J. Clark, Apoorva Upadhyay, Alec Owens, Maire N. Gorman, Juan C. Zapata Trujillo, Thomas Meltzer, Ahmad Y. Adam, Mikhail Semenov, Shaun T. E. Donnelly, Anna-Maree Syme, Samuel Wright, Sergei N. Yurchenko, A. E. Lynas-Gray, Pria Dobney, Qianwei Qu, Jonathan Tennyson
Publikováno v:
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::28b7417ed31132753eab7a22f1677428
https://doi.org/10.15278/isms.2021.fl12
https://doi.org/10.15278/isms.2021.fl12
Publikováno v:
Proceedings of the 2021 International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45c4879b5fa86a60e84888c8d3d3bac8
https://doi.org/10.15278/isms.2021.wf03
https://doi.org/10.15278/isms.2021.wf03
Publikováno v:
Physical Chemistry Chemical Physics
This paper sets out a robust methodology for modelling spectra of polyatomic molecules produced in reactive or dissociative environments, with vibrational populations outside local thermal equilibrium (LTE). The methodology is based on accurate, exte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::d0213581f3fceb9b4b4819d1f0da676b
https://pubmed.ncbi.nlm.nih.gov/34002738
https://pubmed.ncbi.nlm.nih.gov/34002738
Autor:
Wilfrid Somogyi, Ahmed Al-Refaie, Giovanna Tinetti, Christian Hill, Laura K. McKemmish, Katy L. Chubb, Jonathan Tennyson, Oleg L. Polyansky, Victoria H. J. Clark, Akhil Dewan, Olga P. Yurchenko, Yixin Wang, T. Mellor, Sergei N. Yurchenko, Maire N. Gorman, Apoorva Upadhyay, Samuel Wright, Mikhail Semenov, Eamon K. Conway, Alec Owens, Ingo Waldmann, A. E. Lynas-Gray
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer
The ExoMol database ( www.exomol.com ) provides molecular data for spectroscopic studies of hot atmospheres. While the data are intended for studies of exoplanets and other astronomical bodies, the dataset is widely applicable. The basic form of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b60476351e1b681e55ae874ba77e56e1
Autor:
Victoria H. J. Clark, David M. Benoit
Publikováno v:
Proceedings of the International Astronomical Union. 15:468-470
We use quantum chemical techniques to model the vibrational spectra of small aromatic molecules on a proton-ordered hexagonal crystalline water ice (XIh) model. We achieve a good agreement with experimental data by accounting for vibrational anharmon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d13770e121e90b3471c49d2237a3b5e
https://doi.org/10.1017/s174392131900944x
https://doi.org/10.1017/s174392131900944x
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 262:107521
This paper presents an extension to our knowledge of ∆v = 1 and ∆v = 2 bands of carbon monoxide in the ground state, measured by Fourier transform infrared spectroscopy of glow discharge of formamide-nitrogen mixture. Lines in declared bands are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9271acfc38d79c91f0ce0167678f5b45
https://doi.org/10.1016/j.jqsrt.2021.107521
https://doi.org/10.1016/j.jqsrt.2021.107521
Publikováno v:
Journal of Quantitative Spectroscopy and Radiative Transfer. 246:106929
A rotation-vibration line list for the electronic ground state ( X ˜ 1 A 1 ) of SiH2 is presented. The line list, named CATS, is suitable for temperatures up to 2000 K and covers the wavenumber range 0–10 000 cm − 1 (wavelengths > 1.0 µm) for s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa35a217b6b80c4edb444e9691352341
https://doi.org/10.1016/j.jqsrt.2020.106929
https://doi.org/10.1016/j.jqsrt.2020.106929
Autor:
Victoria H. J. Clark, Sergei N. Yurchenko, Alec Owens, Jonathan Tennyson, Alexander O. Mitrushchenkov
Publikováno v:
Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2021, 154 (23), pp.234302. ⟨10.1063/5.0052958⟩
Journal of Chemical Physics, American Institute of Physics, 2021, 154 (23), pp.234302. ⟨10.1063/5.0052958⟩
The rovibronic (rotation-vibration-electronic) spectrum of the calcium monohydroxide radical (CaOH) is of interest to studies of exoplanet atmospheres and ultracold molecules. Here, we theoretically investigate the $\tilde{A}\,^2\Pi$--$\tilde{X}\,^2\
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df4b2b289f3e0e55c81210b18e608df1