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Journal Articles

Ideal Gas Thermodynamic Functions For NO From the Total Partition Sum and Its Moments

Robert R. Gamache, Nicholas G. Orphanos, Qianwei Qu, Sergei N. Yurchenko, Jonathan Tennyson

J. Phys. Chem. Ref. Data 53, 033103 (2024)

https://doi.org/10.1063/5.0209834

Published: August 2024

View article titled, Ideal Gas Thermodynamic Functions For NO From the Total Partition Sum and Its Moments

Journal Articles

Cross Sections for Electron Collisions with the CO₂ Molecule and CO 2 + Molecular Ion

Mi-Young Song, Hyuck Cho, Grzegorz P. Karwasz, Viatcheslav Kokoouline, Jonathan Tennyson

J. Phys. Chem. Ref. Data 53, 033102 (2024)

https://doi.org/10.1063/5.0215796

Published: August 2024

View article titled, Cross Sections for Electron Collisions with the CO2 Molecule and CO 2 + Molecular Ion

Journal Articles

Predissociation dynamics of the hydroxyl radical (OH) based on a five-state spectroscopic model

Georgi B. Mitev, Jonathan Tennyson, Sergei N. Yurchenko

J. Chem. Phys. 160, 144110 (2024)

https://doi.org/10.1063/5.0198241

Published: April 2024

View article titled, Predissociation dynamics of the hydroxyl radical (OH) based on a five-state spectroscopic model

Includes: Supplementary data

Journal Articles

Cross Sections for Electron Collisions with N₂, N 2 * , and N 2 +

Mi-Young Song, Hyuck Cho, Grzegorz P. Karwasz, Viatcheslav Kokoouline, Jonathan Tennyson

J. Phys. Chem. Ref. Data 52, 023104 (2023)

https://doi.org/10.1063/5.0150618

Published: June 2023

View article titled, Cross Sections for Electron Collisions with N2, N 2 * , and N 2 +

Includes: Supplementary data

Journal Articles

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

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

J. Chem. Phys. 158, 234306 (2023)

https://doi.org/10.1063/5.0152996

Published: June 2023

View article titled, Measurement and calculation of CO (7–0) overtone line intensities

Journal Articles

Elastic and inelastic low-energy electron scattering from pyridine

He Su, Xinlu Cheng, Bridgette Cooper, Jonathan Tennyson, Hong Zhang

J. Chem. Phys. 158, 024301 (2023)

https://doi.org/10.1063/5.0127540

Published: January 2023

View article titled, Elastic and inelastic low-energy electron scattering from pyridine

Journal Articles

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

Qianwei Qu, Sergei N. Yurchenko, Jonathan Tennyson

J. Chem. Phys. 157, 124305 (2022)

https://doi.org/10.1063/5.0105965

Published: September 2022

View article titled, A variational model for the hyperfine resolved spectrum of VO in its ground electronic state

Includes: Supplementary data

Journal Articles

Highly accurate HF dimer ab initio potential energy surface

Roman I. Ovsyannikov, Vladimir Yu. Makhnev, Nikolai F. Zobov, Jacek Koput, Jonathan Tennyson, Oleg L. Polyansky

J. Chem. Phys. 156, 164305 (2022)

https://doi.org/10.1063/5.0083563

Published: April 2022

View article titled, Highly accurate HF dimer ab initio potential energy surface

Includes: Supplementary data

Journal Articles

Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)

Alec Owens, Victoria H. J. Clark, Alexander Mitrushchenkov, Sergei N. Yurchenko, Jonathan Tennyson

J. Chem. Phys. 154, 234302 (2021)

https://doi.org/10.1063/5.0052958

Published: June 2021

View article titled, Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)

Includes: Supplementary data

Journal Articles

Electric quadrupole transitions in carbon dioxide

Andrey Yachmenev, Alain Campargue, Sergei N. Yurchenko, Jochen Küpper, Jonathan Tennyson

J. Chem. Phys. 154, 211104 (2021)

https://doi.org/10.1063/5.0053279

Published: June 2021

View article titled, Electric quadrupole transitions in carbon dioxide

Includes: Supplementary data

Journal Articles

Cross Sections for Electron Collisions with H₂O

Mi-Young Song, Hyuck Cho, Grzegorz P. Karwasz, Viatcheslav Kokoouline, Yoshiharu Nakamura, Jonathan Tennyson, Alexandre Faure, Nigel J. Mason, Yukikazu Itikawa

J. Phys. Chem. Ref. Data 50, 023103 (2021)

https://doi.org/10.1063/5.0035315

Published: May 2021

View article titled, Cross Sections for Electron Collisions with H2O

Includes: Supplementary data

Journal Articles

The efficient calculation of electron impact ionization cross sections with effective core potentials

Vincent Graves, Bridgette Cooper, Jonathan Tennyson

J. Chem. Phys. 154, 114104 (2021)

https://doi.org/10.1063/5.0039465

Published: March 2021

View article titled, The efficient calculation of electron impact ionization cross sections with effective core potentials

Includes: Supplementary data

Journal Articles

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

Qianwei Qu, Bridgette Cooper, Sergei N. Yurchenko, Jonathan Tennyson

J. Chem. Phys. 154, 074112 (2021)

https://doi.org/10.1063/5.0038527

Published: February 2021

View article titled, A spectroscopic model for the low-lying electronic states of NO

Includes: Supplementary data

Journal Articles

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

Tibor Furtenbacher, Roland Tóbiás, Jonathan Tennyson, Oleg L. Polyansky, Aleksandra A. Kyuberis, Roman I. Ovsyannikov, Nikolay F. Zobov, Attila G. Császár

J. Phys. Chem. Ref. Data 49, 043103 (2020)

https://doi.org/10.1063/5.0030680

Published: December 2020

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

Includes: Supplementary data

Journal Articles

W2020: A Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of H₂¹⁶O

Tibor Furtenbacher, Roland Tóbiás, Jonathan Tennyson, Oleg L. Polyansky, Attila G. Császár

J. Phys. Chem. Ref. Data 49, 033101 (2020)

https://doi.org/10.1063/5.0008253

Published: July 2020

View article titled, W2020: A Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of H216O

Includes: Supplementary data

Journal Articles

Plasma polymerization of cyclopropylamine in a low-pressure cylindrical magnetron reactor: A PIC-MC study of the roles of ions and radicals

Stella Mathioudaki, Cédric R. Vandenabeele, Romain Tonneau, Andreas Pflug, Jonathan Tennyson, Stéphane Lucas

J. Vac. Sci. Technol. A 38, 033003 (2020)

https://doi.org/10.1116/1.5142913

Published: April 2020

View article titled, Plasma polymerization of cyclopropylamine in a low-pressure cylindrical magnetron reactor: A PIC-MC study of the roles of ions and radicals

Journal Articles

Use of the complete basis set limit for computing highly accurate ab initio dipole moments

Eamon K. Conway, Iouli E. Gordon, Oleg L. Polyansky, Jonathan Tennyson

J. Chem. Phys. 152, 024105 (2020)

https://doi.org/10.1063/1.5135931

Published: January 2020

View article titled, Use of the complete basis set limit for computing highly accurate ab initio dipole moments

Journal Articles

Cross Sections for Electron Collisions with NO, N₂O, and NO₂

Mi-Young Song, Jung-Sik Yoon, Hyuck Cho, Grzegorz P. Karwasz, Viatcheslav Kokoouline, Yoshiharu Nakamura, Jonathan Tennyson

J. Phys. Chem. Ref. Data 48, 043104 (2019)

https://doi.org/10.1063/1.5114722

Published: December 2019

View article titled, Cross Sections for Electron Collisions with NO, N2O, and NO2

Journal Articles

A highly accurate ab initio dipole moment surface for the ground electronic state of water vapour for spectra extending into the ultraviolet

Eamon K. Conway, Aleksandra A. Kyuberis, Oleg L. Polyansky, Jonathan Tennyson, Nikolai F. Zobov

J. Chem. Phys. 149, 084307 (2018)

https://doi.org/10.1063/1.5043545

Published: August 2018

View article titled, A highly accurate ab initio dipole moment surface for the ground electronic state of water vapour for spectra extending into the ultraviolet

Includes: Supplementary data

Journal Articles

Treating linear molecule HCCH in calculations of rotation-vibration spectra

Katy L. Chubb, Andrey Yachmenev, Jonathan Tennyson, Sergei N. Yurchenko

J. Chem. Phys. 149, 014101 (2018)

https://doi.org/10.1063/1.5031844

Published: July 2018

View article titled, Treating linear molecule HCCH in calculations of rotation-vibration spectra

Includes: Supplementary data

NARROW

Topics

Ideal Gas Thermodynamic Functions For NO From the Total Partition Sum and Its Moments

Cross Sections for Electron Collisions with the CO₂ Molecule and CO 2 + Molecular Ion

Predissociation dynamics of the hydroxyl radical (OH) based on a five-state spectroscopic model

Cross Sections for Electron Collisions with N₂, N 2 * , and N 2 +

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

Elastic and inelastic low-energy electron scattering from pyridine

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

Highly accurate HF dimer ab initio potential energy surface

Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)

Electric quadrupole transitions in carbon dioxide

Cross Sections for Electron Collisions with H₂O

The efficient calculation of electron impact ionization cross sections with effective core potentials

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

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

W2020: A Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of H₂¹⁶O

Plasma polymerization of cyclopropylamine in a low-pressure cylindrical magnetron reactor: A PIC-MC study of the roles of ions and radicals

Use of the complete basis set limit for computing highly accurate ab initio dipole moments

Cross Sections for Electron Collisions with NO, N₂O, and NO₂

A highly accurate ab initio dipole moment surface for the ground electronic state of water vapour for spectra extending into the ultraviolet

Treating linear molecule HCCH in calculations of rotation-vibration spectra

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