Publications by authors named "Jonathan Tennyson"

71Publications

Electron Scattering Cross Sections for Anthracene and Pyrene.

J Phys Chem A 2020 Sep 19;124(35):7088-7100. Epub 2020 Aug 19.

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, U.K.

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September 2020

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

J Chem Phys 2020 Jan;152(2):024105

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

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January 2020

Spectroscopy of YO from first principles.

Phys Chem Chem Phys 2019 Oct;21(41):22794-22810

Department of Physics, Ivanovo State University of Chemistry and Technology, Ivanovo 153000, Russia.

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October 2019

General mathematical formulation of scattering processes in atom-diatomic collisions in the RmatReact methodology.

Philos Trans A Math Phys Eng Sci 2019 Sep 5;377(2154):20180409. Epub 2019 Aug 5.

Department of Physics and Astronomy, University College London, London WC1E 6BT, UK.

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September 2019

Hydrogen molecular ions: H, H and beyond.

Philos Trans A Math Phys Eng Sci 2019 Sep 5;377(2154):20180395. Epub 2019 Aug 5.

Department of Physics and Astronomy, University College London, London WC1E 6BT, UK.

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September 2019

A variationally computed room temperature line list for AsH.

Phys Chem Chem Phys 2019 Feb;21(6):3264-3277

Department of Physics & Astronomy, University College London, London WC1E 6BT, UK.

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February 2019

Accurate empirical rovibrational energies and transitions of HO.

Phys Chem Chem Phys 2019 Feb;21(7):3473-3495

Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, ELTE Eötvös Loránd University and MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary.

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February 2019

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

J Chem Phys 2018 Aug;149(8):084307

Institute of Applied Physics, Russian Academy of Sciences, Uljanov Street 46, Nizhniy Novgorod 603950, Russia.

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August 2018

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

J Chem Phys 2018 Jul;149(1):014101

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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July 2018

High-accuracy water potential energy surface for the calculation of infrared spectra.

Philos Trans A Math Phys Eng Sci 2018 Mar;376(2115)

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK

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March 2018

High Accuracy ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System.

J Phys Chem A 2018 Feb 29;122(5):1326-1343. Epub 2018 Jan 29.

Institute of Applied Physics, Russian Academy of Science , Ulyanov Street 46, Nizhny Novgorod, Russia 603950.

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February 2018

Ro-vibronic transition intensities for triatomic molecules from the exact kinetic energy operator; electronic spectrum for the C̃ B ← X̃ A transition in SO.

J Chem Phys 2017 Sep;147(9):094305

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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September 2017

A hybrid line list for CH and hot methane continuum.

Astron Astrophys 2017 Sep 18;605. Epub 2017 Aug 18.

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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September 2017

Simulating electric field interactions with polar molecules using spectroscopic databases.

Sci Rep 2017 03 24;7:45068. Epub 2017 Mar 24.

Center for Free-Electron Laser Science (CFEL), DESY, Notkestrasse 85, 22607 Hamburg, Germany.

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March 2017

Perspective: Accurate ro-vibrational calculations on small molecules.

J Chem Phys 2016 Sep;145(12):120901

Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, United Kingdom.

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September 2016

Low-temperature chemistry using the R-matrix method.

Faraday Discuss 2016 12;195:31-48

Department of Physics and Astronomy, University College London, London WC1E 6BT, UK.

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December 2016

Radiative cooling of HO and its deuterated isotopologues.

Phys Chem Chem Phys 2016 Sep;18(37):26268-26274

Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Bergische Universität Wuppertal, 42097 Wuppertal, Germany.

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September 2016

A highly accurate ab initio potential energy surface for methane.

J Chem Phys 2016 Sep;145(10):104305

Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

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September 2016

Communication: Tunnelling splitting in the phosphine molecule.

J Chem Phys 2016 Sep;145(9):091102

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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September 2016

High-Accuracy CO(2) Line Intensities Determined from Theory and Experiment.

Phys Rev Lett 2015 Jun 15;114(24):243001. Epub 2015 Jun 15.

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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June 2015

Accurate ab initio vibrational energies of methyl chloride.

J Chem Phys 2015 Jun;142(24):244306

Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.

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June 2015

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

J Chem Phys 2015 Mar;142(9):094309

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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March 2015

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

J Chem Phys 2014 Oct;141(14):144312

Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, United Kingdom.

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October 2014

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

J Chem Phys 2014 Jun;140(24):244316

Fachbereich C-Physikalische und Theoretische Chemie, Bergische Universität, D-42097 Wuppertal, Germany.

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June 2014

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

Proc Natl Acad Sci U S A 2014 Jul 16;111(26):9379-83. Epub 2014 Jun 16.

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom; and.

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July 2014

Characterizing exoplanets.

Philos Trans A Math Phys Eng Sci 2014 Apr 24;372(2014):20130375. Epub 2014 Mar 24.

Department of Physics and Astronomy, University College London, , Gower Street, London WC1E 6BT, UK.

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April 2014

Cooling by H3(+) emission.

J Phys Chem A 2013 Oct 26;117(39):9770-7. Epub 2013 Jul 26.

Department of Physics and Astronomy, University College London , London WC1E 6BT, U.K.

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October 2013

Variational calculation of highly excited rovibrational energy levels of H2O2.

J Phys Chem A 2013 Aug 9;117(32):7367-77. Epub 2013 May 9.

Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom.

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August 2013

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

Phys Chem Chem Phys 2013 Jul 11;15(25):10118-25. Epub 2013 Apr 11.

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

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July 2013

Calculation of rotation-vibration energy levels of the water molecule with near-experimental accuracy based on an ab initio potential energy surface.

J Phys Chem A 2013 Oct 19;117(39):9633-43. Epub 2013 Apr 19.

Department of Physics and Astronomy, University College London , Gower Street, London WC1E 6BT, United Kingdom.

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October 2013

Spectroscopy of H3+ based on a new high-accuracy global potential energy surface.

Philos Trans A Math Phys Eng Sci 2012 Nov;370(1978):5014-27

Institute of Applied Physics, Russian Academy of Sciences, Ulyanov Street 46, Nizhny Novgorod 603950, Russia.

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November 2012

Calibration-quality adiabatic potential energy surfaces for H3(+) and its isotopologues.

J Chem Phys 2012 May;136(18):184303

Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden, The Netherlands.

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May 2012

Water in exoplanets.

Philos Trans A Math Phys Eng Sci 2012 Jun;370(1968):2749-64

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

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June 2012

Global spectroscopy of the water monomer.

Philos Trans A Math Phys Eng Sci 2012 Jun;370(1968):2728-48

Institute of Applied Physics, Russian Academy of Sciences, Uljanov Street 46, Nizhny Novgorod, 603950, Russia.

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June 2012

Water in the gas phase.

Philos Trans A Math Phys Eng Sci 2012 Jun;370(1968):2491-4

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June 2012

Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix method.

J Chem Phys 2012 Jan;136(2):024324

Department of Physics and Astronomy, University College London, Gower St., London WC1E 6BT, United Kingdom.

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January 2012

A global, high accuracy ab initio dipole moment surface for the electronic ground state of the water molecule.

J Chem Phys 2011 Jul;135(3):034113

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

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July 2011

H3+ cooling in planetary atmospheres.

Faraday Discuss 2010 ;147:283-91; discussion 379-403

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

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February 2011

State-selective spectroscopy of water up to its first dissociation limit.

J Chem Phys 2009 Dec;131(22):221105

Laboratoire de Chimie Physique Moléculaire (LCPM), Ecole Polytechnique Fédérale de Lausanne, Lausanne CH-1015, Switzerland.

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December 2009

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

J Phys Chem A 2009 Oct;113(43):11845-55

Institut für Physikalische Chemie und Elektrochemie, Technische Universität Dresden, D-01062 Dresden, Germany.

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October 2009

R-matrix calculation of low-energy electron collisions with uracil.

J Chem Phys 2009 Apr;130(16):164307

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

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April 2009

A modified potential for HO2 with spectroscopic accuracy.

J Chem Phys 2009 Apr;130(13):134309

Departamento Química Bioquímica e Farmácia, FCT, Universidade do Algarve, Campus de Gambelas, 8005-139 Faro, Portugal.

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April 2009

Resonant States of H3+ and D2H+.

J Chem Phys 2008 Jun;128(24):244312

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

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June 2008

Calculation of the O-H stretching vibrational overtone spectrum of the water dimer.

J Phys Chem A 2008 Jul 21;112(28):6305-12. Epub 2008 Jun 21.

Laboratory of Physical Chemistry, PO Box 55, AI Virtasen aukio 1, FIN-00014 University of Helsinki, Finland.

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July 2008

Resonances in electron-impact electron detachment of C2-.

Phys Rev Lett 2008 May 30;100(21):213202. Epub 2008 May 30.

Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London, United Kingdom.

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May 2008

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

J Chem Phys 2008 Jan;128(4):044312

Institut für Physikalische Chemie und Elektrochemie, Technische Universität Dresden, D-01062 Dresden, Germany.

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January 2008

A new ab initio ground-state dipole moment surface for the water molecule.

J Chem Phys 2008 Jan;128(4):044304

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

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January 2008

New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2.

J Chem Phys 2008 Jan;128(3):034312

Cherry L. Emerson Center for Scientific Computation, Department of Chemistry, Emory University, Atlanta Georgia 30322, USA.

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January 2008

Overtone spectroscopy of H2D+ and D2H+ using laser induced reactions.

J Chem Phys 2007 Oct;127(15):154317

Raymond and Beverly Sackler Laboratory for Astrophysics, Leiden Observatory, P.O. Box 9513, 2300 RA Leiden, The Netherlands.

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October 2007

CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.

J Chem Phys 2006 Nov;125(20):204307

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom.

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November 2006

Electron-impact rotational excitation of H3+: relevance for thermalization and dissociation dynamics.

Philos Trans A Math Phys Eng Sci 2006 Nov;364(1848):3113-20

Laboratoire d'Astrophysique, UMR 5571 CNRS, Université Joseph-Fourier, BP 53, 38041 Grenoble Cédex 09, France.

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November 2006

The role of asymptotic vibrational states in H3+.

Philos Trans A Math Phys Eng Sci 2006 Nov;364(1848):2903-14; discussion 2915-6

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

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November 2006

Continuous-wave cavity ringdown spectroscopy of the 8nu polyad of water in the 25,195-25,340 cm(-1) range.

J Chem Phys 2005 Oct;123(15):154307

Laboratoire de Spectrométrie Physique [associated with Centre National de la Recherche Scientifique (CNRS) Unite Mixte de Recherche (UMR) C5588], Université Joseph Fourier de Grenoble, Saint-Martin d'Hères Cedex, France.

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October 2005

On equilibrium structures of the water molecule.

J Chem Phys 2005 Jun;122(21):214305

Department of Theoretical Chemistry, Eötvös University, H-1518 Budapest 112, P.O. Box 32, Hungary.

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June 2005

A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions.

J Chem Phys 2005 Jun;122(22):221102

Laboratoire d'Astrophysique, Unité Mixte de Recherche 5571, Centre National de la Recherche Scientifique, Université Joseph Fourier, B.P. 53, 38041 Grenoble cedex 09, France.

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June 2005

A 3000 K laboratory emission spectrum of water.

J Chem Phys 2005 Feb;122(7):074307

Service de Chimie Quantique et Photophysique, Université Libre de Bruxelles, 50 Av. F.D. Roosevelt, B-1050 Bruxelles, Belgium.

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February 2005

Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene.

J Chem Phys 2005 Feb;122(6):064309

Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, United Kingdom.

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February 2005

Can ortho-para transitions for water be observed?

J Chem Phys 2004 Feb;120(6):2732-9

Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT, London, United Kingdom.

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February 2004

Analysis of hot D2O emission using spectroscopically determined potentials.

J Chem Phys 2004 Jan;120(1):206-10

Institute of Applied Physics, Russian Academy of Science, Uljanov Street 46, Nizhnii Novgorod, Russia 603950.

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January 2004

High-accuracy ab initio rotation-vibration transitions for water.

Science 2003 Jan;299(5606):539-42

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, UK.

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January 2003

Dipole moments of highly vibrationally excited water.

Science 2002 Aug;297(5583):993-5

Laboratoire de chimie physique moléculaire (LCPM), Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.

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August 2002

Ab initio rotation-vibration spectra of HCN and HNC.

Spectrochim Acta A Mol Biomol Spectrosc 2002 Mar;58(4):673-90

Department of Physics and Astronomy, University College London, UK.

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March 2002

Ab initio rotation-vibration energy levels of triatomics to spectroscopic accuracy.

Spectrochim Acta A Mol Biomol Spectrosc 2002 Mar;58(4):663-72

Department of Physics and Astronomy, University College London, UK.

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March 2002

The Water Vapor Spectrum in the Region 8600-15 000 cm(-1): Experimental and Theoretical Studies for a New Spectral Line Database.

J Mol Spectrosc 2001 Jul;208(1):43-50

Laser Optics and Spectroscopy, Blackett Laboratory, Imperial College of Science, Technology and Medicine, Prince Consort Road, London, SW7 2BW, United Kingdom

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July 2001

The Water Vapor Spectrum in the Region 8600-15 000 cm(-1): Experimental and Theoretical Studies for a New Spectral Line Database.

J Mol Spectrosc 2001 Jul;208(1):32-42

Laser Optics and Spectroscopy, Blackett Laboratory, Imperial College of Science, Technology and Medicine, Prince Consort Road, London, SW7 2BW, United Kingdom

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July 2001