An ab initio spectroscopic model of the molecular oxygen atmospheric and infrared bands

Wilfrid Somogyi, Sergey N. Yurchenko and Gap-Sue Kim

Phys. Chem. Chem. Phys., 2024, 26, 27419
DOI: 10.1039/D4CP02619E

An ab initio diabatic study of rovibronic spectra of CN

Shuai Zhang, Zhi Qin and Linhua Liu

Phys. Chem. Chem. Phys., 2024, 26, 16998
DOI: 10.1039/D4CP00829D

An ab initio study of the rovibronic spectra of CH

Zhenlu Hou and Linhua Liu

Phys. Chem. Chem. Phys., 2025, 27, 367
DOI: 10.1039/D4CP03298E

Theoretical investigation of the A1Π–X1Σ+, B1Σ+–X1Σ+, C1Σ+–X1Σ+, and E1Π–X1Σ+ transitions of the CO molecule

Malathe Khalil, Salman Mahmoud, Ryan P. Brady, Mubarak Almehairbi, Marko Gacesa, Sergei N. Yurchenko, Jonathan Tennyson, Amal Al Ghaferi and Nayla El-Kork

Phys. Chem. Chem. Phys., 2025, 27, 2783
DOI: 10.1039/D4CP03418J

The molecular chemistry of Type Ibc supernovae and diagnostic potential with the James Webb Space Telescope

S. Liljegren, A. Jerkstrand, P. S. Barklem, G. Nyman, R. Brady and S. N. Yurchenko

A&A, 2023, 674, A184
DOI: 10.1051/0004-6361/202243491

The 2024 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Jonathan Tennyson, Sergei N. Yurchenko, Jingxin Zhang, Charles A. Bowesman, Ryan P. Brady, Jeanna Buldyreva, Katy L. Chubb, Robert R. Gamache, Maire N. Gorman, Elizabeth R. Guest, Christian Hill, Kyriaki Kefala, A.E. Lynas-Gray, Thomas M. Mellor, Laura K. McKemmish, Georgi B. Mitev, Irina I. Mizus, Alec Owens, Zhijian Peng, Armando N. Perri, Marco Pezzella, Oleg L. Polyansky, Qianwei Qu, Mikhail Semenov, Oleksiy Smola, Andrei Solokov, Wilfrid Somogyi, Apoorva Upadhyay, Samuel O.M. Wright and Nikolai F. Zobov

Journal of Quantitative Spectroscopy and Radiative Transfer, 2024, 326, 109083
DOI: 10.1016/j.jqsrt.2024.109083

Collision integrals of electronically excited atoms in air plasmas: II. N–O interactions

Wensheng Zhao, Qizhen Hong, Chao Yang, Quanhua Sun and Yuan Hu

Plasma Sources Sci. Technol., 2025, 34, 025019
DOI: 10.1088/1361-6595/adb787

Exact Rovibronic Equivalence of the Adiabatic and Diabatic Representations of N$$ N $$‐Coupled State Diatomic Systems

Ryan P. Brady and S. N. Yurchenko

J Comput Chem, 2025, 46
DOI: 10.1002/jcc.70181

Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic Molecules

Ryan P. Brady, Charlie Drury, Sergei N. Yurchenko and Jonathan Tennyson

J. Chem. Theory Comput., 2024, 20, 2127
DOI: 10.1021/acs.jctc.3c01150

Collision integrals for N+–N+, O+–O+, and N+–O+ interactions in air plasmas

Zi Ding and Linhua Liu

Physics of Fluids, 2024, 36
DOI: 10.1063/5.0231253

Collision integrals of electronically excited atoms in air plasmas. I. N–N and O–O interactions

Wensheng Zhao, Qizhen Hong, Chao Yang, Quanhua Sun and Yuan Hu

Plasma Sources Sci. Technol., 2023, 32, 125002
DOI: 10.1088/1361-6595/ad0edf

Sulfur dioxide in the mid-infrared transmission spectrum of WASP-39b

Diana Powell, Adina D. Feinstein, Elspeth K. H. Lee, Michael Zhang, Shang-Min Tsai, Jake Taylor, James Kirk, Taylor Bell, Joanna K. Barstow, Peter Gao, Jacob L. Bean, Jasmina Blecic, Katy L. Chubb, Ian J. M. Crossfield, Sean Jordan, Daniel Kitzmann, Sarah E. Moran, Giuseppe Morello, Julianne I. Moses, Luis Welbanks, Jeehyun Yang, Xi Zhang, Eva-Maria Ahrer, Aaron Bello-Arufe, Jonathan Brande, S. L. Casewell, Nicolas Crouzet, Patricio E. Cubillos, Brice-Olivier Demory, Achrène Dyrek, Laura Flagg, Renyu Hu, Julie Inglis, Kathryn D. Jones, Laura Kreidberg, Mercedes López-Morales, Pierre-Olivier Lagage, Erik A. Meier Valdés, Yamila Miguel, Vivien Parmentier, Anjali A. A. Piette, Benjamin V. Rackham, Michael Radica, Seth Redfield, Kevin B. Stevenson, Hannah R. Wakeford, Keshav Aggarwal, Munazza K. Alam, Natalie M. Batalha, Natasha E. Batalha, Björn Benneke, Zach K. Berta-Thompson, Ryan P. Brady, Claudio Caceres, Aarynn L. Carter, Jean-Michel Désert, Joseph Harrington, Nicolas Iro, Michael R. Line, Joshua D. Lothringer, Ryan J. MacDonald, Luigi Mancini, Karan Molaverdikhani, Sagnick Mukherjee, Matthew C. Nixon, Apurva V. Oza, Enric Palle, Zafar Rustamkulov, David K. Sing, Maria E. Steinrueck, Olivia Venot, Peter J. Wheatley and Sergei N. Yurchenko

Nature, 2024, 626, 979
DOI: 10.1038/s41586-024-07040-9

A strict and internally consistent diabatic representation for coupled N-state diatomics: A hybrid asymptotic-property-based diabatization method

R. P. Brady

The Journal of Chemical Physics, 2025, 162
DOI: 10.1063/5.0260594

Photochemically produced SO2 in the atmosphere of WASP-39b

Shang-Min Tsai, Elspeth K. H. Lee, Diana Powell, Peter Gao, Xi Zhang, Julianne Moses, Eric Hébrard, Olivia Venot, Vivien Parmentier, Sean Jordan, Renyu Hu, Munazza K. Alam, Lili Alderson, Natalie M. Batalha, Jacob L. Bean, Björn Benneke, Carver J. Bierson, Ryan P. Brady, Ludmila Carone, Aarynn L. Carter, Katy L. Chubb, Julie Inglis, Jérémy Leconte, Michael Line, Mercedes López-Morales, Yamila Miguel, Karan Molaverdikhani, Zafar Rustamkulov, David K. Sing, Kevin B. Stevenson, Hannah R. Wakeford, Jeehyun Yang, Keshav Aggarwal, Robin Baeyens, Saugata Barat, Miguel de Val-Borro, Tansu Daylan, Jonathan J. Fortney, Kevin France, Jayesh M. Goyal, David Grant, James Kirk, Laura Kreidberg, Amy Louca, Sarah E. Moran, Sagnick Mukherjee, Evert Nasedkin, Kazumasa Ohno, Benjamin V. Rackham, Seth Redfield, Jake Taylor, Pascal Tremblin, Channon Visscher, Nicole L. Wallack, Luis Welbanks, Allison Youngblood, Eva-Maria Ahrer, Natasha E. Batalha, Patrick Behr, Zachory K. Berta-Thompson, Jasmina Blecic, S. L. Casewell, Ian J. M. Crossfield, Nicolas Crouzet, Patricio E. Cubillos, Leen Decin, Jean-Michel Désert, Adina D. Feinstein, Neale P. Gibson, Joseph Harrington, Kevin Heng, Thomas Henning, Eliza M.-R. Kempton, Jessica Krick, Pierre-Olivier Lagage, Monika Lendl, Joshua D. Lothringer, Megan Mansfield, N. J. Mayne, Thomas Mikal-Evans, Enric Palle, Everett Schlawin, Oliver Shorttle, Peter J. Wheatley and Sergei N. Yurchenko

Nature, 2023, 617, 483
DOI: 10.1038/s41586-023-05902-2

Diabatic Potential Energy Surfaces of the Interacting Triplet States 3A2 and 3B1 of the Ozone Molecule

O. V. Egorov

Atmos Ocean Opt, 2023, 36, 277
DOI: 10.1134/S102485602304005X

ExoMol line lists – LVI. The SO line list, MARVEL analysis of experimental transition data and refinement of the spectroscopic model

Ryan P Brady, Sergei N Yurchenko, Jonathan Tennyson and Gap-Sue Kim

Monthly Notices of the Royal Astronomical Society, 2023, 527, 6675
DOI: 10.1093/mnras/stad3508

Early Release Science of the exoplanet WASP-39b with JWST NIRSpec G395H

Lili Alderson, Hannah R. Wakeford, Munazza K. Alam, Natasha E. Batalha, Joshua D. Lothringer, Jea Adams Redai, Saugata Barat, Jonathan Brande, Mario Damiano, Tansu Daylan, Néstor Espinoza, Laura Flagg, Jayesh M. Goyal, David Grant, Renyu Hu, Julie Inglis, Elspeth K. H. Lee, Thomas Mikal-Evans, Lakeisha Ramos-Rosado, Pierre-Alexis Roy, Nicole L. Wallack, Natalie M. Batalha, Jacob L. Bean, Björn Benneke, Zachory K. Berta-Thompson, Aarynn L. Carter, Quentin Changeat, Knicole D. Colón, Ian J. M. Crossfield, Jean-Michel Désert, Daniel Foreman-Mackey, Neale P. Gibson, Laura Kreidberg, Michael R. Line, Mercedes López-Morales, Karan Molaverdikhani, Sarah E. Moran, Giuseppe Morello, Julianne I. Moses, Sagnick Mukherjee, Everett Schlawin, David K. Sing, Kevin B. Stevenson, Jake Taylor, Keshav Aggarwal, Eva-Maria Ahrer, Natalie H. Allen, Joanna K. Barstow, Taylor J. Bell, Jasmina Blecic, Sarah L. Casewell, Katy L. Chubb, Nicolas Crouzet, Patricio E. Cubillos, Leen Decin, Adina D. Feinstein, Joanthan J. Fortney, Joseph Harrington, Kevin Heng, Nicolas Iro, Eliza M.-R. Kempton, James Kirk, Heather A. Knutson, Jessica Krick, Jérémy Leconte, Monika Lendl, Ryan J. MacDonald, Luigi Mancini, Megan Mansfield, Erin M. May, Nathan J. Mayne, Yamila Miguel, Nikolay K. Nikolov, Kazumasa Ohno, Enric Palle, Vivien Parmentier, Dominique J. M. Petit dit de la Roche, Caroline Piaulet, Diana Powell, Benjamin V. Rackham, Seth Redfield, Laura K. Rogers, Zafar Rustamkulov, Xianyu Tan, P. Tremblin, Shang-Min Tsai, Jake D. Turner, Miguel de Val-Borro, Olivia Venot, Luis Welbanks, Peter J. Wheatley and Xi Zhang

Nature, 2023, 614, 664
DOI: 10.1038/s41586-022-05591-3

ExoMol line lists – LIII: empirical rovibronic spectra of yttrium oxide

Sergei N Yurchenko, Ryan P Brady, Jonathan Tennyson, Alexander N Smirnov, Oleg A Vasilyev and Victor G Solomonik

Monthly Notices of the Royal Astronomical Society, 2023, 527, 4899
DOI: 10.1093/mnras/stad3225