S. Yurchenko

发表

ExoMol molecular line lists – XXXVII. Spectra of acetylene

J. Tennyson, K. Chubb, S. Yurchenko, 2020, 2001.04550.

Automatic differentiation method for numerical construction of the rotational-vibrational Hamiltonian as a power series in the curvilinear internal coordinates using the Eckart frame.

S. Yurchenko, A. Yachmenev, 2015, The Journal of chemical physics.

Theoretical ROVibrational Energies (TROVE) : A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules

P. Jensen, W. Thiel, S. Yurchenko, 2007 .

Hydrogen storage in carbon nanostructures

G. Seifert, T. Heine, G. Seifert, 2009 .

Laboratory spectra of hot molecules: data needs for hot super-Earth exoplanets

J. Tennyson, S. Yurchenko, 2017, 1705.07198.

ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K

Sergei N. Yurchenko, Jonathan Tennyson, J. Tennyson, 2014, 1401.4852.

Vibrational transition moments of CH4 from first principles

Sergei N. Yurchenko, Jonathan Tennyson, Walter Thiel, 2013, 1302.1720.

A global ab initio dipole moment surface for methyl chloride

Sergei N. Yurchenko, Jonathan Tennyson, Walter Thiel, 2016, 1808.05431.

Accurate ab initio vibrational energies of methyl chloride.

Jonathan Tennyson, Walter Thiel, Andrey Yachmenev, 2015, The Journal of chemical physics.

Symmetry-Adapted Ro-vibrational Basis Functions for Variational Nuclear Motion Calculations: TROVE Approach.

Roman I. Ovsyannikov, S. Yurchenko, A. Yachmenev, 2017, Journal of chemical theory and computation.

The status of spectroscopic data for the exoplanet characterisation missions

J. Tennyson, S. Yurchenko, 2014, 1401.4212.

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

J. Tennyson, S. Yurchenko, Qianwei Qu, 2021, 2104.10854.

ExoMol line lists – XL. Rovibrational molecular line list for the hydronium ion (H3O+)

J. Tennyson, S. Miller, S. Yurchenko, 2020, 2007.13020.

ExoMol line list – XXI. Nitric Oxide (NO)

Sergei N. Yurchenko, Jonathan Tennyson, Andy Wong, 2017, 1705.05955.

Terahertz spectroscopy of hydrogen sulfide

A. A. Azzam, J. Tennyson, S. Yurchenko, 2013 .

Terahertz spectroscopy of hydrogen sulfide Ala ' a

A. A. Azzam, J. Tennyson, S. Yurchenko, 2013 .

ExoMol molecular line lists XIX: high accuracy computed hot line lists for H218O and H217O

Roman I. Ovsyannikov, J. Tennyson, L. Lodi, 2017, 1702.03570.

Hydrogen Physisorption on Carbon Foams upon Inclusion of Many-Body and Quantum Delocalization Effects

G. Seifert, T. Heine, A. Martínez-Mesa, 2012 .

Molecular cross-sections for high-resolution spectroscopy of super-Earths, warm Neptunes, and hot Jupiters

A. Bonomo, J. Tennyson, A. Sozzetti, 2020, Monthly Notices of the Royal Astronomical Society.

Temperature-dependent molecular absorption cross sections for exoplanets and other atmospheres

Sergei N. Yurchenko, Jonathan Tennyson, C. Hill, 2012, 1205.6514.

An update to the MARVEL data set and ExoMol line list for 12C2

Laura K. McKemmish, J. Tennyson, A. Császár, 2020, Monthly Notices of the Royal Astronomical Society.

ExoMol molecular line lists XXXVI: X 2Π – X 2Π and A 2Σ+ – X 2Π transitions of SH

J. Tennyson, S. Yurchenko, Maire N. Gorman, 2019, Monthly Notices of the Royal Astronomical Society.

ExoMol: molecular line lists for exoplanet and other atmospheres

Sergei N. Yurchenko, Jonathan Tennyson, J. Tennyson, 2012 .

Simulating electric field interactions with polar molecules using spectroscopic databases

J. Tennyson, K. Chubb, S. Yurchenko, 2017, Scientific Reports.

Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond

Sergei N. Yurchenko, Jonathan Tennyson, Laurence S. Rothman, 2017 .

EXPERIMENTAL ENERGY LEVELS AND PARTITION FUNCTION OF THE 12C2 MOLECULE

P. Bernath, J. Tennyson, A. Császár, 2016, 1605.01504.

ExoMol molecular line lists - XVII. The rotation-vibration spectrum of hot SO3

J. Tennyson, Timothy J. Lee, D. Schwenke, 2016, 1603.04065.

J an 2 01 6 D uo : a general program for calculating spectra of diatomic molecules ✩

J. Tennyson, L. Lodi, S. Yurchenko, 2016 .

Effect of initial pulse shape modulation on spontaneous soliton formation in the NSE model

A. Shapovalov, S. Yurchenko, 1992 .

Electric quadrupole transitions in carbon dioxide.

J. Tennyson, S. Yurchenko, A. Yachmenev, 2021, The Journal of chemical physics.

The ab initio calculation of spectra of open shell diatomic molecules

J. Tennyson, L. Lodi, S. Yurchenko, 2016, 1605.02301.

ExoMol molecular line lists – XXVII. Spectra of C2H4

J. Tennyson, S. Yurchenko, A. Yachmenev, 2018, 1806.03469.

Global spectroscopy of the water monomer

J. Tennyson, A. Császár, L. Lodi, 2012, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Nonresonant Raman spectra of the methyl radical 12CH3 simulated in variational calculations

P. Jensen, S. Yurchenko, A. Yachmenev, 2019, Journal of Molecular Spectroscopy.

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

J. Tennyson, S. Yurchenko, Maire N. Gorman, 2021, 2111.04859.

Marvel analysis of the measured high-resolution rovibrational spectra of H232S

E. R. Polovtseva, J. Tennyson, A. Fazliev, 2017, Journal of Quantitative Spectroscopy and Radiative Transfer.

Determination of glyphosate in surface water with high organic matter content

I. Leito, S. Yurchenko, A. Kruve, 2017, Environmental Science and Pollution Research.

ExoMol line lists – VII. The rotation–vibration spectrum of phosphine up to 1500 K

J. Tennyson, S. Yurchenko, C. Sousa-Silva, 2014, 1410.2917.

Simultaneous determination of fluoroquinolones, sulfonamides and tetracyclines in sewage sludge by pressurized liquid extraction and liquid chromatography electrospray ionization-mass spectrometry.

K. Sepp, M. Lillenberg, S. Yurchenko, 2009, Journal of chromatography. A.

Fatty acid profile of milk from Saanen and Swedish Landrace goats.

S. Yurchenko, T. Kaart, I. Jõudu, 2018, Food chemistry.

Time-resolved Fourier transform infrared emission spectroscopy of CO ∆v = 1 and ∆v = 2 extended bands in the ground X1Σ+ state produced by formamide glow discharge

S. Yurchenko, M. Ferus, A. Pastorek, 2021, Journal of Quantitative Spectroscopy and Radiative Transfer.

A semi-empirical potential energy surface and line list for H216O extending into the near-ultraviolet

K. Chance, I. Gordon, J. Tennyson, 2020, Atmospheric Chemistry and Physics.

A semi-empirical potential energy surface and line list for H216O extending into the near-ultraviolet

K. Chance, I. Gordon, J. Tennyson, 2020, Atmospheric Chemistry and Physics.

ExoMol molecular line lists XXX: a complete high-accuracy line list for water

J. Tennyson, L. Lodi, S. Yurchenko, 2018, Monthly Notices of the Royal Astronomical Society.

Optimized semiempirical potential energy surface for H216O up to 26000 cm−1

S. Yurchenko, O. Polyansky, N. Zobov, 2011 .

ExoMol molecular line lists - XIII: The spectrum of CaO

C. Hill, J. Tennyson, S. Yurchenko, 2015, 1512.08987.

ExoMol molecular line lists - XVII. The rotation-vibration spectrum of hot SO3

J. Tennyson, Timothy J. Lee, D. Schwenke, 2016, 1603.04065.

Cross-sections for heavy atmospheres: H2O continuum

J. Tennyson, G. Tinetti, K. Chubb, 2021, Journal of Quantitative Spectroscopy and Radiative Transfer.

The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Laura K. McKemmish, Thomas M. Mellor, J. Tennyson, 2020 .

Analysis of the first overtone bands of isotopologues of CO and SiO in stellar spectra

J. Tennyson, Y. Pavlenko, S. Yurchenko, 2019, Astronomy & Astrophysics.

An ab initio study of the CH3I photodissociation. I. Potential energy surfaces.

A. B. Alekseyev, H. Liebermann, R. Buenker, 2007, The Journal of chemical physics.

Analysis of the first overtone bands of isotopologues of CO and SiO in stellar spectra

J. Tennyson, Y. Pavlenko, S. Yurchenko, 2019, Astronomy & Astrophysics.

ExoMol: molecular line lists for exoplanet and other atmospheres

J. Tennyson, S. Yurchenko, 2012, 1204.0124.

The EChO science case

Enzo Pascale, Jonathan Tennyson, Charles Cockell, 2015, 1502.05747.

ExoMol molecular line lists – XXXIII. The spectrum of Titanium Oxide

Laura K. McKemmish, J. Tennyson, S. Grimm, 2019, Monthly Notices of the Royal Astronomical Society.

ExoMol line lists – XVIII. The high-temperature spectrum of VO

Laura K. McKemmish, J. Tennyson, S. Yurchenko, 2016, 1609.06120.

Accurate prediction of H3O+ and D3O+ sensitivity coefficients to probe a variable proton-to-electron mass ratio

W. Thiel, S. Yurchenko, O. Polyansky, 2015, 1808.05422.

Accurate prediction of the ammonia probes of a variable proton-to-electron mass ratio

W. Thiel, S. Yurchenko, A. Owens, 2015, 1505.05989.

Analysis of the TiO isotopologues in stellar optical spectra

Laura K. McKemmish, J. Tennyson, Y. Pavlenko, 2020, 2008.02092.

Non-Local thermal equilibrium spectra of atmospheric molecules for exoplanets

S. Yurchenko, I. Waldmann, Sam Wright, 2022, Monthly Notices of the Royal Astronomical Society.

Variationally Computed IR Line List for the Methyl Radical CH3.

P. Jensen, S. Yurchenko, A. Yachmenev, 2019, The journal of physical chemistry. A.

Nonresonant Raman spectra of the methyl radical 12CH3 simulated in variational calculations

P. Jensen, S. Yurchenko, A. Yachmenev, 2019, Journal of Molecular Spectroscopy.

ExoMol molecular line lists – XII. Line lists for eight isotopologues of CS

J. Tennyson, S. Yurchenko, E. J. Barton, 2015, 1507.01275.

Treating linear molecule HCCH in calculations of rotation-vibration spectra.

J. Tennyson, K. Chubb, S. Yurchenko, 2018, The Journal of chemical physics.

On the study of XY2 (my ⪡ mx) plane molecules

R. Tolchenov, S. Yurchenko, O. Ulenikov, 1997 .

Presence of fluoroquinolones and sulfonamides in urban sewage sludge and their degradation as a result of composting

M. Lillenberg, A. Kuu, S. Yurchenko, 2010 .

Empirical rovibrational energy levels of ammonia up to 7500 cm−1

B. Drouin, J. Tennyson, A. Császár, 2020, Journal of Quantitative Spectroscopy and Radiative Transfer.

Absorption spectra of ammonia near 1 μm

J. Tennyson, S. Yurchenko, O. Polyansky, 2017 .

Re-analysis of ammonia spectra: Updating the HITRAN 14NH3 database

L. Brown, C. Hill, J. Tennyson, 2013 .

Vibrationally resolved electron impact electronic excitation of BeH

J. Tennyson, S. Yurchenko, K. Lawson, 2020, Journal of Physics B: Atomic, Molecular and Optical Physics.

The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH2)

J. Tennyson, S. Yurchenko, A. Owens, 2020, Journal of Quantitative Spectroscopy and Radiative Transfer.

ExoMol molecular line lists XXXVI: X 2Π – X 2Π and A 2Σ+ – X 2Π transitions of SH

J. Tennyson, S. Yurchenko, M. Gorman, 2019, Monthly Notices of the Royal Astronomical Society.

ExoMol line lists – XXXII. The rovibronic spectrum of MgO

J. Tennyson, S. Yurchenko, H. Li, 2019, Monthly Notices of the Royal Astronomical Society.

A variationally computed room temperature line list for AsH3.

J. Tennyson, R. Kovacich, S. Yurchenko, 2019, Physical chemistry chemical physics : PCCP.

ExoMol line lists XXXI: spectroscopy of lowest eights electronic states of C2

J. Tennyson, S. Yurchenko, E. Pyatenko, 2018, Monthly Notices of the Royal Astronomical Society.

ExoMol line lists XXV: a hot line list for silicon sulphide, SiS

J. Tennyson, S. Yurchenko, Apoorva Upadhyay, 2018, 1806.11177.

ExoMol linelists XXVIII: the rovibronic spectrum of AlH

J. Tennyson, P. Leyland, L. Lodi, 2018, Monthly Notices of the Royal Astronomical Society.

ExoMol molecular line lists - XXIII. Spectra of PO and PS

J. Tennyson, L. Lodi, S. Yurchenko, 2017, 1709.03001.

ExoMol molecular line lists – XI. The spectrum of nitric acid

J. Tennyson, S. Yurchenko, A. I. Pavlyuchko, 2015, 1507.02276.

The calculated rovibronic spectrum of scandium hydride, ScH

J. Tennyson, L. Lodi, S. Yurchenko, 2015, 1504.04051.

Study of the electronic and rovibronic structure of the X ²Σ⁺, A ²Π, and B ²Σ⁺ states of AlO.

C. Hill, J. Tennyson, S. Yurchenko, 2014, The Journal of chemical physics.

Roto-translational states of the interstitial molecular hydrogen in silicon: A theoretical study.

S. Yurchenko, V. Melnikov, 2015, The Journal of chemical physics.

A high-resolution line list for AlO

J. Tennyson, S. Yurchenko, Charles A Bowesman, 2021, Monthly Notices of the Royal Astronomical Society.

ExoMol molecular line lists: IX The spectrum of AlO

J. Tennyson, S. Yurchenko, Andrei T. Patrascu, 2015, 1504.02938.

ExoMol molecular line lists V: the ro-vibrational spectra of NaCl and KCl

Daniel J. Frohman, P. Bernath, J. Tennyson, 2013, 1403.7952.

EXOCROSS: a general program for generating spectra from molecular line lists

J. Tennyson, S. Yurchenko, A. Al-Refaie, 2018, Astronomy & Astrophysics.

A near infrared line list for NH3: Analysis of a Kitt Peak spectrum after 35 years

J. Tennyson, S. Yurchenko, A. Campargue, 2016, 1605.02511.

ExoMol line lists – VIII. A variationally computed line list for hot formaldehyde

J. Tennyson, S. Yurchenko, A. Yachmenev, 2015, 1506.00172.

Rotational Spectrum of SO_3 and Theoretical Evidence for the Formation of Rotational Energy Level Clusters in its Vibrational Ground State

J. Tennyson, P. Jensen, S. Yurchenko, 2014 .

An ab initio variationally computed room-temperature line list for (32)S(16)O3.

J. Tennyson, S. Yurchenko, D. Underwood, 2013, Physical chemistry chemical physics : PCCP.

ExoMol molecular line lists - X. The spectrum of sodium hydride

R. L. Roy, J. Tennyson, L. Lodi, 2015, 1506.00174.

MARVEL Analysis of the Measured High-resolution Rovibronic Spectra of the Calcium Monohydroxide Radical (CaOH)

J. Tennyson, S. Yurchenko, A. Owens, 2020, The Astrophysical Journal Supplement Series.

The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the $X\,{}^2\Sigma^+$ state: a theoretical study

C. Hill, J. Tennyson, B. Yadin, 2012, 1204.0137.

An improved rovibrational linelist of formaldehyde, H212C16O

J. Tennyson, A. Császár, S. Yurchenko, 2021 .

An experimental water line list at 1950 K in the 6250-6670 cm- 1 region

J. Tennyson, A. Foltynowicz, S. Yurchenko, 2017, 1712.09406.

High temperature partition functions and thermodynamic data for ammonia and phosphine

C. Hill, J. Tennyson, S. Yurchenko, 2014 .

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

S. Yurchenko, A. Yachmenev, E. Zak, 2022, The Journal of chemical physics.

Observation of electric-quadrupole infrared transitions in water vapor

S. Yurchenko, S. Kassi, A. Campargue, 2020, Physical Review Research.

Rotation-vibration energy level clustering in the (X)over-tilde²B₁ ground electronic state of PH₂

P. Jensen, W. Thiel, S. Yurchenko, 2006 .

ExoMol line lists – XXXIX. Ro-vibrational molecular line list for CO2

Thomas M. Mellor, J. Tennyson, R. Freedman, 2020, Monthly Notices of the Royal Astronomical Society.

METHANE IN THE ATMOSPHERE OF THE TRANSITING HOT NEPTUNE GJ436B?

J. Beaulieu, J. Tennyson, D. Kipping, 2010, 1007.0324.

ExoMol line lists - XXII. The rotation-vibration spectrum of silane up to 1200 K

J. Tennyson, W. Thiel, S. Yurchenko, 2017, 1712.09354.

Spectra of Hot Molecules of Astrophysical Importance: an Update on the ExoMol Project

J. Tennyson, S. Yurchenko, 2013, Proceedings of the International Astronomical Union.

Molecular line shape parameters for exoplanetary atmospheric applications

J. Tennyson, S. Yurchenko, E. J. Barton, 2017, 1704.04106.

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

J. Tennyson, S. Yurchenko, J. Buldyreva, 2022, RAS Techniques and Instruments.

Radiative lifetimes and cooling functions for astrophysically important molecules

J. Tennyson, S. Yurchenko, K. Hulme, 2016, 1601.07997.

Quantum and classical equilibrium properties for exactly solvable models of weakly interacting systems

S. Patchkovskii, S. Yurchenko, 2004 .

Anomalous phosphine sensitivity coefficients as probes for a possible variation of the proton-to-electron mass ratio

S. Yurchenko, A. Owens, V. vSpirko, 2018, 1808.05427.

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

J. Tennyson, S. Yurchenko, A. Buchachenko, 2021 .

New physical insights: Formamide discharge decomposition and the role of fragments in the formation of large biomolecules.

S. Yurchenko, M. Ferus, A. Pastorek, 2022, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

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

J. Tennyson, S. Yurchenko, Marco Pezzella, 2021, Physical chemistry chemical physics : PCCP.

The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres

J. Gizis, I. Gordon, B. Drouin, 2019, 1905.07064.

A hybrid line list for CH4 and hot methane continuum.

J. Tennyson, S. Yurchenko, D. S. Amundsen, 2017, Astronomy and astrophysics.

ExoMol molecular line lists – XX. A comprehensive line list for H3+

J. Tennyson, L. Lodi, S. Yurchenko, 2017, 1704.04096.

Predicted Landé g-factors for open shell diatomic molecules

J. Tennyson, S. Yurchenko, Mikhail Semenov, 2016, 1701.00176.

ExoMol molecular line lists - XVI: The rotation-vibration spectrum of hot H$_2$S

A. A. Azzam, J. Tennyson, S. Yurchenko, 2016, 1607.00499.

Fine and hyperfine resolved empirical energy levels of VO

J. Tennyson, S. Yurchenko, W. Hopkins, 2022, Journal of Quantitative Spectroscopy and Radiative Transfer.

The spectrum of singlet SiH2

P. Jensen, S. Yurchenko, P. Bunker, 2004 .

Hot temperatures line lists for metal hydrides

J. Tennyson, Christian Hill, L. Lodi, 2013 .

A theoretical study of the millimeterwave spectrum of CH 5

S. Yurchenko, P. Bunker, B. Ostojić, 2004 .

Coulomb explosion imaging: the CH3+ and H3O+ molecules

P. Jensen, S. Yurchenko, P. Bunker, 2005 .

Rotational spectrum of SO3 and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground state.

J. Tennyson, P. Jensen, S. Yurchenko, 2014, The Journal of chemical physics.

Duo: A general program for calculating spectra of diatomic molecules

Sergei N. Yurchenko, Jonathan Tennyson, Andrey V. Stolyarov, 2016, Comput. Phys. Commun..

A review of analytical techniques for determination of Sudan I-IV dyes in food matrixes.

Ivo Leito, Koit Herodes, I. Leito, 2010, Journal of chromatography. A.

A high accuracy computed line list for the HDO molecule

R. Tolchenov, J. Tennyson, A. Lugovskoy, 2010 .

Graphene nanostructures as tunable storage media for molecular hydrogen.

J. Tse, G. Seifert, S. Patchkovskii, 2005, Proceedings of the National Academy of Sciences of the United States of America.

ExoMol line lists – XV. A new hot line list for hydrogen peroxide

J. Tennyson, S. Yurchenko, O. Polyansky, 2016, 1607.00498.

The ExoMol pressure broadening diet: H 2 and He line-broadening parameters

C. Hill, J. Tennyson, M. Czurylo, 2017 .

Pressure-dependent water absorption cross sections for exoplanets and other atmospheres

C. Hill, J. Tennyson, S. Yurchenko, 2016, 1610.09008.

The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Ahmed F. Al-Refaie, Sergei N. Yurchenko, Jonathan Tennyson, 2016, 1603.05890.

ExoMol photodissociation cross sections I: HCl and HF

J. Tennyson, S. Yurchenko, Marco Pezzella, 2022, Monthly Notices of the Royal Astronomical Society.

The effect of soil tillage on symbiotic activity of soybean crops.

S. Yurchenko, V. Hanhur, L. Yeremko, 2020 .

ExoMol at 10

J. Tennyson, S. Yurchenko, 2021, Astronomy & Geophysics.

ExoMol line lists – XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K

J. Tennyson, W. Thiel, A. Fateev, 2018, Monthly Notices of the Royal Astronomical Society.

The ExoMol Atlas of Molecular Opacities

Sergei N. Yurchenko, Jonathan Tennyson, J. Tennyson, 2018, 1805.03711.

Analysis of the red and green optical absorption spectrum of gas phase ammonia

P. Bernath, J. Tennyson, S. Yurchenko, 2018 .

The EChO science case

Enzo Pascale, Jonathan Tennyson, Charles Cockell, 2015, 1502.05747.

The status of spectroscopic data for the exoplanet characterisation missions

J. Tennyson, S. Yurchenko, 2014, 1401.4212.

Spectrum of hot methane in astronomical objects using a comprehensive computed line list

J. Tennyson, G. Tinetti, J. Bailey, 2014, Proceedings of the National Academy of Sciences.

Variational calculation of highly excited rovibrational energy levels of H2O2.

J. Tennyson, S. Yurchenko, O. Polyansky, 2013, The journal of physical chemistry. A.

A variationally computed line list for hot NH3

J. Tennyson, R. Barber, S. Yurchenko, 2010, 1011.1569.

Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams.

G. Seifert, S. Patchkovskii, T. Heine, 2011, The Journal of chemical physics.

MARVEL analysis of the measured high-resolution spectra of 14NH3

J. Tennyson, A. Császár, S. Yurchenko, 2015 .

Detecting Chirality in Molecules by Linearly Polarized Laser Fields.

S. Yurchenko, A. Yachmenev, 2016, Physical review letters.

Climbing the Rotational Ladder to Chirality.

S. Yurchenko, A. Yachmenev, J. Küpper, 2018, Physical review letters.

Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

P. Jensen, W. Thiel, S. Yurchenko, 2006 .

Method for determination of fatty acids in bovine colostrum using GC-FID.

V Poikalainen, A. Karus, S. Yurchenko, 2016, Food chemistry.

A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state.

P. Jensen, W. Thiel, S. Yurchenko, 2011, The Journal of chemical physics.

ExoMol line lists XXIV: a new hot line list for silicon monohydride, SiH

C. Hill, J. Tennyson, L. Lodi, 2017, 1710.06964.

Five carbon- and nitrogen-bearing species in a hot giant planet’s atmosphere

Antonino Francesco Lanza, A. Bonomo, R. Claudi, 2021, Nature.

The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres

J. Tennyson, K. Chubb, S. Yurchenko, 2020, 2009.00687.

Spectroscopy of YO from first principles.

A. N. Smirnov, J. Tennyson, S. Yurchenko, 2019, Physical chemistry chemical physics : PCCP.

Direct Evidence of Photochemistry in an Exoplanet Atmosphere

A. D. Feinstein, N. Crouzet, T. Henning, 2022 .

The infrared spectrum of PF3 and analysis of rotational energy clustering effect

J. Tennyson, K. Chubb, S. Yurchenko, 2019, Molecular Physics.

Radiative cooling of H3O+ and its deuterated isotopologues† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04661d Click here for additional data file.

J. Tennyson, P. Jensen, S. Yurchenko, 2016, Physical chemistry chemical physics : PCCP.

ExoMol molecular line lists – XXVI: spectra of SH and NS

J. Tennyson, L. Lodi, S. Yurchenko, 2018, 1803.09724.

Artificial Symmetries for Calculating Vibrational Energies of Linear Molecules

Sergei N. Yurchenko, Per Jensen, Thomas M. Mellor, 2021, Symmetry.

Treating linear molecules in calculations of rotation-vibration spectra.

Thomas M. Mellor, S. Yurchenko, 2020, The Journal of chemical physics.

Hybrid variational–perturbation method for calculating ro-vibrational energy levels of polyatomic molecules

J. Tennyson, S. Yurchenko, A. I. Pavlyuchko, 2014, 1411.6098.

New potential energy surfaces for the and states of CH

P. Jensen, W. Thiel, S. Yurchenko, 2007 .

Theoretical quantitative spectroscopy: Computer simulation of molecular spectra

P. Jensen, Jingjing Zheng, W. Thiel, 2006 .

Dipole moment and rovibrational intensities in the electronic ground state of NH3: bridging the gap between ab initio theory and spectroscopic experiment.

P. Jensen, Jingjing Zheng, W. Thiel, 2005, The Journal of chemical physics.

Rotation-vibration motion of pyramidal XY₃ molecules described in the Eckart frame: The calculation of intensities with application to NH₃

P. Jensen, W. Thiel, S. Yurchenko, 2005 .

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

J. Tennyson, S. Yurchenko, S. Yurchenko, 2022, Physical chemistry chemical physics : PCCP.

Time-Resolved Fourier Transform Infrared Emission Spectroscopy of NH Radical in the X3Σ− Ground State

S. Yurchenko, A. Pastorek, S. Civiš, 2022, Journal of Quantitative Spectroscopy and Radiative Transfer.

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

S. Yurchenko, Victoria H J Clark, 2021, Physical chemistry chemical physics : PCCP.

An improved rovibrational linelist of formaldehyde, \spec{h212c16o}

J. Tennyson, S. Yurchenko, C. Puzzarini, 2021, 2102.07423.

N-nitrosodimethylamine analysis in Estonian beer using positive-ion chemical ionization with gas chromatography mass spectrometry

S. Yurchenko, U. Mölder, 2005 .

The occurrence of volatile N-nitrosamines in Estonian meat products

S. Yurchenko, U. Mölder, 2007 .

Volatile N-Nitrosamines in various fish products

S. Yurchenko, U. Mölder, 2006 .

The determination of polycyclic aromatic hydrocarbons in smoked fish by gas chromatography mass spectrometry with positive-ion chemical ionization

S. Yurchenko, U. Mölder, 2005 .

The discovery of a very cool, very nearby brown dwarf in the Galactic plane

University College London, T. U. Dresden, U. London, 2010, 1004.0317.

ExoMol line list – XXXIV. A rovibrational line list for phosphinidene (PH) in its $X\, {}^3\Sigma ^-$ and $a\, {}^1\Delta$ electronic states

P. Bernath, J. Tennyson, S. Yurchenko, 2019, Monthly Notices of the Royal Astronomical Society.

ExoMol line lists – I. The rovibrational spectrum of BeH, MgH and CaH in the X 2Σ+ state

C. Hill, J. Tennyson, B. Yadin, 2012 .

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

J. Tennyson, S. Yurchenko, Qianwei Qu, 2022, Journal of chemical theory and computation.

Potential-energy surface for the electronic ground state of NH₃ up to 20,000 cm⁻¹ above equilibrium

P. Jensen, Jingjing Zheng, W. Thiel, 2005 .

AlH lines in the blue spectrum of Proxima Centauri

J. Tennyson, A. Mascareno, Y. Pavlenko, 2022, Monthly Notices of the Royal Astronomical Society.

ExoMol line lists – XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)

J. Tennyson, S. Yurchenko, A. Owens, 2020, Monthly Notices of the Royal Astronomical Society.

Empirical Line Lists in the ExoMol Database

J. Tennyson, S. Yurchenko, Yixin Wang, 2020, Atoms.

VIB5 database with accurate ab initio quantum chemical molecular potential energy surfaces

Pavlo O. Dral, S. Yurchenko, A. Owens, 2022, Scientific data.

Rovibronic spectroscopy of PN from first principles

J. Tennyson, S. Yurchenko, N. El-Kork, 2021, Physical chemistry chemical physics : PCCP.

ExoMol line lists – XLI. High-temperature molecular line lists for the alkali metal hydroxides KOH and NaOH

J. Tennyson, S. Yurchenko, A. Owens, 2021, Monthly Notices of the Royal Astronomical Society.

ExoMol molecular line lists – XXXV. A rotation-vibration line list for hot ammonia

J. Tennyson, S. Yurchenko, Phillip A. Coles, 2019, Monthly Notices of the Royal Astronomical Society.

Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P2H2) and the deuterated species P2HD.

S. Yurchenko, A. Owens, 2019, The Journal of chemical physics.

The rotation-vibration spectrum of methyl fluoride from first principles.

W. Thiel, S. Yurchenko, A. Yachmenev, 2018, Physical chemistry chemical physics : PCCP.

A highly accurate ab initio potential energy surface for methane.

J. Tennyson, W. Thiel, S. Yurchenko, 2016, The Journal of chemical physics.

Calculation of rotation-vibration energy levels of the ammonia molecule based on an ab initio potential energy surface

J. Tennyson, L. Lodi, S. Yurchenko, 2016 .

A global potential energy surface and dipole moment surface for silane.

W. Thiel, S. Yurchenko, A. Yachmenev, 2015, The Journal of chemical physics.

Cross-sections for heavy atmospheres: H$_2$O self-broadening

J. Tennyson, G. Tinetti, K. Chubb, 2022, 2203.02335.

Cross-sections for heavy atmospheres: H2O self-broadening

J. Tennyson, G. Tinetti, K. Chubb, 2022, Journal of Quantitative Spectroscopy and Radiative Transfer.

Combined IR absorption and modeling study of nanoporous zeolite imidazolate frameworks (ZIFs) filled with hydrogen

G. Seifert, S. Yurchenko, E. Lavrov, 2012 .

Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels.

Walter Thiel, Pavlo O. Dral, Pavlo O Dral, 2017, The Journal of chemical physics.

Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical.

P. Jensen, S. Yurchenko, A. Yachmenev, 2015, The Journal of chemical physics.

Exomol molecular line lists - VI. A high temperature line list for phosphorus nitride

Leo C. Yorke, J. Tennyson, L. Lodi, 2014, 1504.02804.

Dipole moment and intensities in the electronic ground state of NH 3 : Bridging the gap between ab initio theory and spectroscopic experiment

P. Jensen, W. Thiel, S. Yurchenko, 2004 .

A variationally computed T = 300 K line list for NH3.

J. Tennyson, P. Jensen, W. Thiel, 2009, The journal of physical chemistry. A.

Transformation Properties under the Operations of the Molecular Symmetry Groups G36 and G36(EM) of Ethane H3CCH3

Sergei N. Yurchenko, Per Jensen, Thomas M. Mellor, 2019, Symmetry.

Improved potential energy surface and spectral assignments for ammonia in the near-infrared region

J. Tennyson, S. Yurchenko, O. Polyansky, 2018, Journal of Quantitative Spectroscopy and Radiative Transfer.

Symmetry Adaptation of the Rotation-Vibration Theory for Linear Molecules

Sergei N. Yurchenko, Per Jensen, Katy L. Chubb, 2018, Symmetry.

The Symmetry of Linear Molecules

P. Jensen, K. Chubb, S. Yurchenko, 2018 .

A variationally calculated room temperature line-list for H2O2

J. Tennyson, S. Yurchenko, O. Polyansky, 2015 .

A theoretical room-temperature line list for 15NH3

S. Yurchenko, 2015, 1502.07975.

A computed room temperature line list for phosphine

J. Tennyson, S. Yurchenko, C. Sousa-Silva, 2013, 1302.1997.

A theoretical-spectroscopy, ab initio-based study of the electronic ground state of 121SbH3

P. Jensen, W. Thiel, S. Yurchenko, 2010 .

Theoretical rotation-torsion spectra of HSOH.

P. Jensen, T. Giesen, W. Thiel, 2010, Physical chemistry chemical physics : PCCP.

An Ab Initio Calculation of the Vibrational Energies and Transition Moments of HSOH

P. Jensen, T. Giesen, W. Thiel, 2009 .

Theoretical evidence for the formation of rotational energy level clusters in the vibrational ground state of PH3.

P. Jensen, S. Patchkovskii, W. Thiel, 2005, Physical chemistry chemical physics : PCCP.

Potential parameters of PH3 obtained by simultaneous fitting of ab initio data and experimental vibrational band origins

P. Jensen, S. Yurchenko, T. Huet, 2003 .

Vibrational energies for NH3 based on high level ab initio potential energy surfaces

P. Jensen, W. Thiel, S. Yurchenko, 2002 .

ExoMol line lists II: The ro-vibrational spectrum of SiO

J. Tennyson, S. Yurchenko, E. J. Barton, 2013, 1307.2300.

Vibrational energies of PH3 calculated variationally at the complete basis set limit.

P. Jensen, W. Thiel, S. Yurchenko, 2008, The Journal of chemical physics.

Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres

A. Barbe, A. Nikitin, J. Tennyson, 2022, Icarus.

Contribution of new water vapor absorption lines to the atmospheric transmission in the transparency window 8-12 µm

B. A. Voronin, Yu. V. Voronina, T. Yu. Chesnokova, 2020, Atmospheric and Ocean Optics.

Methane and ammonia in the near-infrared spectra of late-T dwarfs

J. Tennyson, R. Smart, P. Lucas, 2015, 1503.04715.

Effective potential energy surface of HD16O for calculation of highly excited states of nν3 and ν1 + nν3 types

Jonathan Tennyson, B. A. Voronin, S. S. Voronina, 2015, Atmospheric and Oceanic Optics.

Analysis of high temperature ammonia spectra from 780 to 2100 cm−1

P. Bernath, J. Tennyson, R. Barber, 2011 .

Potential energy surface of HDO up to 25,000 cm-1.

R. Tolchenov, J. Tennyson, W. Thiel, 2008, The Journal of chemical physics.

Photochemically produced SO2 in the atmosphere of WASP-39b

A. D. Feinstein, N. Crouzet, T. Henning, 2023, Nature.

PH₃ revisited: Theoretical transition moments for the vibrational transitions below 7000 cm⁻¹

P. Jensen, W. Thiel, S. Yurchenko, 2008 .

Theoretical rotation-torsion energies of HSOH.

P. Jensen, T. Giesen, W. Thiel, 2008, The Journal of chemical physics.

Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of ¹⁴NH₃⁺

P. Jensen, W. Thiel, S. Yurchenko, 2008 .

A dispersed fluorescence and ab initio investigation of the X2B1 and A2A1 electronic states of the PH2 molecule.

P. Jensen, B. Simard, W. Thiel, 2006, The Journal of chemical physics.

Vibrational spectrum of BiH3: Six-dimensional variational calculations on high-level ab initio potential energy surfaces

W. Thiel, S. Yurchenko, J. Breidung, 2005 .

High-level ab initio potential energy surfaces and vibrational energies of H2CS.

W. Thiel, S. Yurchenko, A. Yachmenev, 2011, The Journal of chemical physics.

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

S. Yurchenko, M. Ferus, A. Pastorek, 2023, Molecules.

A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid.

J. Tennyson, S. Yurchenko, A. I. Pavlyuchko, 2014, The Journal of chemical physics.

Ab initio calculations to support accurate modelling of the rovibronic spectroscopy calculations of vanadium monoxide (VO)

Laura K. McKemmish, J. Tennyson, S. Yurchenko, 2016, 1609.05073.

Lightning chemistry on Earth-like exoplanets

Sergei N. Yurchenko, Jonathan Tennyson, Marco Rocchetto, 2017, 1704.07917.

An empirical spectroscopic model for eleven electronic states of VO

J. Tennyson, S. Yurchenko, Qianwei Qu, 2022, Journal of Molecular Spectroscopy.

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

J. Tennyson, S. Yurchenko, Qianwei Qu, 2022, The Journal of chemical physics.

ExoMol line lists – XLVI: Empirical rovibronic spectra of silicon mononitrate (SiN) covering the 6 lowest electronic states and 4 isotopologues

J. Tennyson, S. Yurchenko, Mikhail Semenov, 2022, Monthly Notices of the Royal Astronomical Society.

The EChO science case

S. J. Liu, R. L. Heredero, Arturo Tozzi, 2015, Experimental Astronomy.

Hydrogen storage in zeolite imidazolate frameworks. A multiscale theoretical investigation

G. Seifert, S. Leoni, S. Yurchenko, 2011 .

A spectroscopic thermometer: individual vibrational band spectroscopy with the example of OH in the atmosphere of WASP-33b

K. Hodapp, J. Tennyson, H. Kawahara, 2023, 2305.11071.

Electric-quadrupole and magnetic-dipole contributions to the ν2+ν3 band of carbon dioxide near 3.3 µm

H. Fleurbaey, S. Yurchenko, A. Yachmenev, 2020, Journal of Quantitative Spectroscopy and Radiative Transfer.

Detection of electric-quadrupole transitions in water vapour near 5.4 and 2.5 μm.

A. Solodov, A. Solodov, S. Yurchenko, 2020, Physical chemistry chemical physics : PCCP.

High-resolution absorption measurements of NH3 at high temperatures: 2100 - 5500

J. Tennyson, S. Clausen, A. Fateev, 2016, 1612.07930.

High-resolution absorption measurements of NH3 at high temperatures: 500-2100 cm 1

J. Tennyson, S. Clausen, A. Fateev, 2015 .

Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study

J. Tennyson, P. Jensen, W. Thiel, 2011 .

Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.

P. Jensen, Jingjing Zheng, W. Thiel, 2005, The Journal of chemical physics.

On second-order anharmonic constants forXY2 molecules in the local-mode approach

S. Yurchenko, O. Ulenikov, 1999 .

ExoMol line lists - III. An improved hot rotation-vibration line list for HCN and HNC

Jonathan Tennyson, R. J. Barber, S. N. Yurchenko, 2013, 1311.1328.

Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: the importance of the large amplitude inversion mode.

P. Jensen, W. Thiel, S. Yurchenko, 2010, The Journal of chemical physics.

Laser-induced interference, focusing, and diffraction of rescattering molecular photoelectrons.

P. Corkum, S. Patchkovskii, S. Yurchenko, 2004, Physical review letters.

Exoplanet characterisation observatory

Matthew Joseph Griffin, Enzo Pascale, Sergei N. Yurchenko, 2012 .

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

S. Yurchenko, V. Ushakov, E. S. Medvedev, 2023, SSRN Electronic Journal.

Chapter 7:Electric dipole moments of small polyatomic molecules from first principles

S. Yurchenko, 2013 .

The rovibronic energies of the SiNSi radical in its (X)over-tilde²Πg electronic state

P. Jensen, Z. Jakubek, S. Yurchenko, 2006 .

Rotational States of the Hydrogen Molecule in the Crystalline Silicon Matrix

S. Yurchenko, V. Melnikov, 2014 .

Development of a General Approach to the Modeling of Free and Confined Polyatomic Systems

P. Jensen, S. Yurchenko, A. Potekaev, 2015 .

Data structures for photoadsorption within the ExoMol project

J. Tennyson, S. Yurchenko, Marco Pezzella, 2023, RAS Techniques and Instruments.

G PU A ccelerated IN tensities MPI (GAIN-MPI): A new method of computing Einstein-A coefficients

Ahmed F. Al-Refaie, Sergei N. Yurchenko, Jonathan Tennyson, 2017, Comput. Phys. Commun..

Effective potential energy surface of HD16O for calculation of highly excited states of nν3 and ν1 + nν3 types

J. Tennyson, S. Yurchenko, A. Kozodoev, 2015 .

Calculation of electric quadrupole linestrengths for diatomic molecules : Application to the X 1 Σ + states of H 2 , CO and HF molecules

S. Yurchenko, A. Yachmenev, W. Somogyi, 2021 .

A Population Study of Gaseous Exoplanets

I. P. Waldmann, M. Rocchetto, J. Tennyson, 2017, 1704.05413.

The resonance lines of sodium and potassium in brown dwarf spectra

G. Peach, I. Baraffe, K. Chubb, 2020 .

PCCP PAPER View Article Online View Journal | View Issue

J. Tennyson, S. Yurchenko, D. Underwood, 2013 .

Peer Review File Manuscript Title: Photochemically-produced SO2 in the atmosphere of WASP-39b Reviewer Comments & Author Rebuttals

A. D. Feinstein, N. Crouzet, T. Henning, 2023 .

Optical frequency comb Fourier transform spectroscopy of formaldehyde in the 1250 to 1390 cm−1 range: experimental line list and improved MARVEL analysis

I. Gordon, J. Tennyson, A. Foltynowicz, 2023, Journal of Quantitative Spectroscopy and Radiative Transfer.

ExoMol line lists – XLVIII. High-temperature line list of thioformaldehyde (H2CS)

Thomas M. Mellor, J. Tennyson, S. Yurchenko, 2023, Monthly Notices of the Royal Astronomical Society.

MARVEL analysis of high-resolution spectra of thioformaldehyde (H2CS)

Thomas M. Mellor, J. Tennyson, S. Yurchenko, 2022, Journal of Molecular Spectroscopy.

ExoMol molecular line lists - XVII. The rotation-vibration spectrum of hot SO3

J. Tennyson, Timothy J. Lee, D. Schwenke, 2016, 1603.04065.

On the use of the finite difference method in a calculation of vibration-rotation energies

P. Jensen, M. Tretyakov, S. Yurchenko, 2009 .

The ExoMol project: Software for computing large molecular line lists

Jonathan Tennyson, S. N. Yurchenko, J. Tennyson, 2016, 1607.01220.

Rotation–vibration energy cluster formation in XH2D and XHD2 molecules (X = Bi, P, and Sb)

P. Jensen, W. Thiel, S. Yurchenko, 2009 .

Rotational energy cluster formation in XY3 molecules: Excited vibrational states of BiH3 and SbH3

P. Jensen, W. Thiel, S. Yurchenko, 2006 .

Theoretical rotation-torsion energies of HSOH.

P. Jensen, T. Giesen, W. Thiel, 2008, The Journal of chemical physics.

Ab initio potential energy surface , electric-dipole moment , polarizability tensor , and theoretical rovibrational spectra in the electronic ground state of 14 NH þ 3

P. Jensen, W. Thiel, S. Yurchenko, 2008 .

Empirical rovibrational energy levels for methane

S. Yurchenko, J. Tennyson, V. Boudon, 2024, Journal of Quantitative Spectroscopy and Radiative Transfer.

Empirical rovibrational energy levels for nitrous oxide

A. Császár, S. Yurchenko, T. Furtenbacher, 2024, Journal of Quantitative Spectroscopy and Radiative Transfer.

Collisional broadening of molecular rovibronic lines

S. Yurchenko, J. Buldyreva, Ryan P Brady, 2023, Journal of Quantitative Spectroscopy and Radiative Transfer.

High-resolution absorption measurements of NH3 at high temperatures: 500-2100 cm 1

S. Clausen, A. Fateev, S. Yurchenko, 2015 .

MARVEL analysis of high-resolution rovibrational spectra of 13 $$ {}^{13} $$ C 16 $$ {}^{16} $$ O 2 $$ {}_2 $$.

A. A. Azzam, A. Császár, S. Yurchenko, 2024, Journal of computational chemistry.

Data for: MARVEL analysis of the measured high-resolution rovibrational spectra of H$_2$$^{32}$S

E. R. Polovtseva, J. Tennyson, A. Fazliev, 2018 .

Accurate ab initio vibrational energies of methyl chloride.

J. Tennyson, W. Thiel, S. Yurchenko, 2015, The Journal of chemical physics.

Laboratory investigation of shock-induced dissociation of buckminsterfullerene and astrophysical insights

A. Gusdorf, P. Lesaffre, S. Yurchenko, 2024, Astronomy & Astrophysics.

High-level ab initio potential energy surfaces and vibrational energies of H2CS.

W. Thiel, S. Yurchenko, A. Yachmenev, 2011, The Journal of chemical physics.

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

A. D. Feinstein, P. Lagage, I. Crossfield, 2024, Nature.

The occurrence of volatile N-nitrosamines in Estonian meat products

S. Yurchenko, U. Mölder, 2007 .

Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical.

P. Jensen, S. Yurchenko, A. Yachmenev, 2015, The Journal of chemical physics.

A hyperfine-resolved spectroscopic model for vanadium monoxide (51V16O)

S. Yurchenko, J. Tennyson, Charles A. Bowesman, 2023, Molecular Physics.