ExoMolHD: Precision spectroscopic data for studies of exoplanets and other hot atmospheres

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Data ManagementPlan (DMP).

Pubblicazioni

ExoMol line lists – L: high-resolution line lists of H3+, H2D+, D2H+, and D3+

Autori: Charles A Bowesman; Irina I Mizus; Nikolay F Zobov; Oleg L Polyansky; János Sarka; Bill Poirier; Marco Pezzella; Sergei N Yurchenko; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 16, 2022, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stad050

Electric quadrupole transitions in carbon dioxide

Autori: A. Yachmenev, J. Küpper, A. Campargue, S.N. Yurchenko and J. Tennyson,
Pubblicato in: The Journal of chemical physics., 2021, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0053279

ExoMol line lists – XLVII. Rovibronic spectrum of aluminium monochloride (AlCl)

Autori: Sergei N Yurchenko; Emma Nogué; Ala’a A A Azzam; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 17, 2023, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac3757

Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface

Autori: Polyansky, Oleg L.; Ovsyannikov, Roman I.; Tennyson, Jonathan; Belov, Sergei P.; Tretyakov, Mikhail Yu.; Makhnev, Vladimir Yu.; Zobov, Nikolai F.
Pubblicato in: Journal of Molecular Spectroscopy, Numero 11, 2022, ISSN 1096-083X
Editore: Elsevier
DOI: 10.1016/j.jms.2021.111481

ExoMol line lists – XLVI. Empirical rovibronic spectra of silicon mononitrate (SiN) covering the six lowest electronic states and four isotopologues

Autori: Mikhail Semenov; Nicholas Clark; Sergei N Yurchenko; Gap-Sue Kim; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 17, 2022, Pagina/e 1158–1169, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac2004

Rovibronic spectroscopy of PN from first principles

Autori: Mikhail Semenov; Nayla El-Kork; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: Physical Chemistry Chemical Physics, Numero 2, 2021, ISSN 1463-9084
Editore: RSC
DOI: 10.1039/d1cp02537f

A variational model for the hyperfine resolved spectrum of VO in its ground electronic state

Autori: Qianwei Qu; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: The Journal of Chemical Physics, Numero 17, 2022, Pagina/e 124305, ISSN 1089-7690
Editore: American Institute of Physics
DOI: 10.1063/5.0105965

Calculation of Electric Quadrupole Linestrengths for Diatomic Molecules: Application to the H2, CO, HF and O2 Molecules.

Autori: Wilfrid Somogyi; Sergey N. Yurchenko; Andrey Yachmenev
Pubblicato in: The Journal of Chemical Physics, Numero 2, 2021, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0063256

ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)

Autori: Sergei N. Yurchenko; Jonathan Tennyson; Anna-Maree Syme; Ahmad Y. Adam; Victoria H. J. Clark; B. D. Cooper; C. Pria Dobney; Shaun T. E. Donnelly; Maire N. Gorman; A. E. Lynas-Gray; A. E. Lynas-Gray; A. E. Lynas-Gray; Thomas Meltzer; Alec Owens; Qianwei Qu; Mikhail Semenov; Mikhail Semenov; Wilfrid Somogyi; Apoorva Upadhyay; Samuel Wright; Juan C. Zapata Trujillo
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 2, 2021, ISSN 0035-8711
Editore: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab3267

ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO)

Autori: Yurchenko, Sergei N.; Tennyson, Jonathan; Syme, Anna-Maree; Adam, Ahmad Y.; Clark, Victoria H. J.; Cooper, Bridgette; Dobney, C. Pria; Donnelly, Shaun T. E.; Gorman, Maire N.; Lynas-Gray, Anthony E.; Meltzer, Thomas; Owens, Alec; Qu, Qianwei; Semenov, Mikhail; Somogyi, Wilfrid; Upadhyay, Apoorva; Wright, Samuel; Trujillo, Juan C. Zapata
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 23, 2022, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.48550/arxiv.2111.04859

Highly accurate HF dimer ab initio potential energy surface

Autori: Roman I. Ovsyannikov; Vladimir Yu. Makhnev; Nikolai F. Zobov; Jacek Koput; Jonathan Tennyson; Oleg L. Polyansky
Pubblicato in: The Journal of Chemical Physics, Numero 17, 2022, Pagina/e 164305, ISSN 1089-7690
Editore: American Institute of Physics
DOI: 10.1063/5.0083563

A method for calculating temperature-dependent photodissociation cross sections and rates.

Autori: Marco Pezzella; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: Physical Chemistry Chemical Physics, Numero 2, 2021, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d1cp02162a

Infrared Spectra of Small Radicals for Exoplanetary Spectroscopy: OH, NH, CN and CH: The State of Current Knowledge

Autori: Svatopluk Civiš; Adam Pastorek; Martin Ferus; Sergei N. Yurchenko; Noor-Ines Boudjema
Pubblicato in: Molecules, Numero 18, 2022, ISSN 1420-3049
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules28083362

An empirical spectroscopic model for eleven electronic states of VO

Autori: Qu, Qianwei; Yurchenko, Sergei N.; Tennyson, Jonathan
Pubblicato in: Journal of Molecular Spectroscopy, Numero 17, 2023, Pagina/e 111733, ISSN 1096-083X
Editore: Elsevier
DOI: 10.1016/j.jms.2022.111733

A spectroscopic model for the low-lying electronic states of NO.

Autori: Qianwei Qu; B. D. Cooper; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: The Journal of Chemical Physics, Numero 3, 2021, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0038527

Measurement and calculation of CO (7–0) overtone line intensities

Autori: Aleksandr A. Balashov; Katarzyna Bielska; Gang Li; Aleksandra A. Kyuberis; Szymon Wójtewicz; Jolanta Domysławska; Roman Ciuryło; Nikolay F. Zobov; Daniel Lisak; Jonathan Tennyson; Oleg L. Polyansky
Pubblicato in: Physical Review Letters, Numero 17, 2022, ISSN 1079-7114
Editore: American Institute of Physics
DOI: 10.1063/5.0152996

Analysis of measured high-resolution doublet rovibronic spectra and related line lists of 12CH and 16OH

Autori: Tibor Furtenbacher; Samuel T. Hegedus; Jonathan Tennyson; Attila G. Császár
Pubblicato in: Physical Chemistry and Chemical Physics, Numero 16, 2022, ISSN 1463-9084
Editore: Royal Society of Chemistry
DOI: 10.1039/d2cp02240k

An ab initio study of the rovibronic spectrum of sulphur monoxide (SO): diabatic vs. adiabatic representation

Autori: R. P. Brady; S. N. Yurchenko; G.-S. Kim; W. Somogyi; J. Tennyson
Pubblicato in: Physical Chemistry and Chemical Physics, Numero 20, 2022, ISSN 1463-9084
Editore: Royal Society of Chemistry
DOI: 10.1039/d2cp03051a

Improved Potential-Energy and Dipole-Moment Functions of the Ground Electronic State of Phosphorus Nitride

Autori: V.G. Ushakov; M. Semenov; S.N. Yurchenko; A. Yu. Ermilov; E.S. Medvedev
Pubblicato in: Journal of Molecular Spectroscopy, Numero 3, 2022, ISSN 1096-083X
Editore: Elsevier
DOI: 10.2139/ssrn.4460714

The nuclear-spin-forbidden rovibrational transitions of water from first principles

Autori: Andrey Yachmenev; Guang Yang; Emil Zak; Sergei Yurchenko; Jochen Küpper
Pubblicato in: The Journal of Chemical Physics, Numero 18, 2022, ISSN 1089-7690
Editore: American Institute of Physics
DOI: 10.1063/5.0090771

A global line list for HDO between 0 and 35000 cm^{−1} constructed using multiphoton spectra

Autori: N.F. Zobov, M.A. Koshelev, D.S. Makarov, O.V. Boyarkin, V.G. Tyuterev, J. Tennyson and O.L. Polyansky
Pubblicato in: Journal of Quantitative Spectroscopy and Radiative Transfer, 2021, ISSN 0022-4073
Editore: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.107694

Fine and hyperfine resolved empirical energy levels of VO

Autori: Charles A. Bowesman; Hanieh Akbari; W.Scott. Hopkins; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: Journal of Quantitative Spectroscopy and Radiative Transfer, Numero 17, 2022, Pagina/e 108295, ISSN 1879-1352
Editore: Elsevier
DOI: 10.1016/j.jqsrt.2022.108295

AlH lines in the blue spectrum of Proxima Centauri

Autori: Yakiv V Pavlenko; Jonathan Tennyson; Sergei N Yurchenko; Mirek R Schmidt; Hugh R A Jones; Yuri Lyubchik; A Suárez Mascareño
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 16, 2022, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac2588

Simple semiclassical model of pressure-broadened infrared/microwave linewidths in the temperature range 200–3000 K

Autori: Jeanna Buldyreva; Sergei N Yurchenko; Jonathan Tennyson
Pubblicato in: RAS Techniques and Instrument, Numero 1, 2022, Pagina/e 43-47, ISSN 2752-8200
Editore: Oxford University Press
DOI: 10.1093/rasti/rzac004

Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm−1: experiment and analysis

Autori: Tom M. Rubin; Marian Sarrazin; Nikolai F. Zobov; Jonathan Tennyson; Oleg L. Polyansky
Pubblicato in: Molecular Physics, Numero 5, 2022, Pagina/e e2063769, ISSN 1362-3028
Editore: Taylor and Francis
DOI: 10.1080/00268976.2022.2063769

An experimentally-accurate and complete room-temperature infrared HCN line-list for the HITRAN database

Autori: Georg Ch. Mellau; Vladimir Yu. Makhnev; Iouli E. Gordon; N. F. Zobov; Jonathan Tennyson; Oleg L. Polyansky; Oleg L. Polyansky
Pubblicato in: Journal of Quantitative Spectroscopy and Radiative Transfer, Numero 1, 2021, ISSN 0022-4073
Editore: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.107666

The W2020 Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of Water Isotopologues. II. H217O and H218O with an Update to H216O

Autori: Tibor Furtenbacher; Roland Tóbiás; Jonathan Tennyson; Oleg L. Polyansky; Oleg L. Polyansky; Aleksandra A. Kyuberis; Roman I. Ovsyannikov; N. F. Zobov; Attila G. Császár
Pubblicato in: Journal of Physical and Chemical Reference Data, 49(4):043103. AMER INST PHYSICS, Numero 4, 2021, ISSN 0047-2689
Editore: American Chemical Society
DOI: 10.1063/5.0030680

Modelling the non-local thermodynamic equilibrium spectra of silylene (SiH2).

Autori: Victoria H. J. Clark; Sergei N. Yurchenko
Pubblicato in: Physical Chemistry Chemical Physics, Numero 13, 2021, ISSN 1463-9084
Editore: RSC
DOI: 10.1039/d1cp00839k

ExoMol molecular line lists – XLIII. Rovibronic transitions corresponding to the close-lying X 2Π and A 2Σ+ states of NaO

Autori: G.B. Mitev, S. Taylor, J. Tennyson, S.N. Yurchenko, A.A. Buchachenko and A.V. Stolyarov
Pubblicato in: Monthly Notices of the Royal Astronomical Society, 2021, ISSN 0035-8711
Editore: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab3357

ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)

Autori: Alec Owens; Sophie Dooley; Luke McLaughlin; Brandon Tan; Guanming Zhang; Sergei N Yurchenko; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 22, 2022, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac371

<scp>ExoMol</scp> photodissociation cross-sections – I. HCl and HF

Autori: Marco Pezzella; Jonathan Tennyson; Sergei N Yurchenko
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 14, 2022, Pagina/e 4413-4425, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac1634

ExoMol line lists – XLVII. Rovibronic molecular line list of the calcium monohydroxide radical (CaOH)

Autori: Alec Owens; Alexander Mitrushchenkov; Sergey Yurchenko; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 19, 2022, Pagina/e 3995–4002, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac2462

An improved rovibrational linelist of formaldehyde, H212C16O

Autori: Afaf R. Al-Derzi; Jonathan Tennyson; Sergei N. Yurchenko; Mattia Melosso; Ningjing Jiang; Cristina Puzzarini; Luca Dore; Tibor Furtenbacher; Roland Tóbiás; Attila G. Császár
Pubblicato in: Journal of quantitative spectroscopy and radiative transfer, Numero 5, 2021, ISSN 0022-4073
Editore: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.107563

A high-resolution line list for AlO

Autori: Charles A. Bowesman; Meiyin Shuai; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 4, 2021, ISSN 0035-8711
Editore: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab2525

A Method for the Variational Calculation of Hyperfine-Resolved Rovibronic Spectra of Diatomic Molecules

Autori: Qianwei Qu; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: Journal of Chemical Theory and Computation, Numero 17, 2022, Pagina/e 1808, ISSN 1549-9626
Editore: American Chemical Society
DOI: 10.1021/acs.jctc.1c01244

Non-local thermal equilibrium spectra of atmospheric molecules for exoplanets

Autori: Sam Wright; Sergey Yurchenko; Ingo Waldmann
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 24, 2022, Pagina/e 2911–2924, ISSN 1365-2966
Editore: Oxford University Press
DOI: 10.1093/mnras/stac654

ExoMol molecular line lists -- XLII: Rovibronic molecular line list for the low-lying states of NO

Autori: Qianwei Qu; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: Monthly Notices of the Royal Astronomical Society, Numero 5, 2021, ISSN 0035-8711
Editore: Blackwell Publishing Inc.
DOI: 10.1093/mnras/stab1154

Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)

Autori: Alec Owens; Victoria H. J. Clark; Alexander O. Mitrushchenkov; Sergei N. Yurchenko; Jonathan Tennyson
Pubblicato in: The Journal of Chemical Physics, Numero 4, 2021, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0052958

Cross-sections for heavy atmospheres: H2O continuum

Autori: L. Anisman, K.L. Chubb, J. Elsey, A. Al-Refaie, Q. Changeat, S.N. Yurchenko, J. Tennyson and G. Tinetti
Pubblicato in: Journal of Quantitative Spectroscopy and Radiative Transfer, 2022, ISSN 0022-4073
Editore: Pergamon Press Ltd.
DOI: 10.1016/j.jqsrt.2021.108013

High Accuracy Molecular Line Lists for Studies of Exoplanets and Other Hot Atmospheres

Autori: Jonathan Tennyson and Sergey N. Yurchenko
Pubblicato in: Frontiers in Astronomy and Space Sciences, 2022, ISSN 2296-987X
Editore: Frontiers Media S.A
DOI: 10.3389/fspas.2021.795040

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