Jonathan Tennyson

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Jonathan Tennyson is affiliated with the following schools: University of Sussex, University College London

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According to Wikipedia, Charles Jonathan Penrose Tennyson is a British physicist. He is the Massey Professor of Physics and Head of department at the Department of Physics and Astronomy, University College London . Chief Scientist Quantemol Ltd and chair, Blue Skies Space Ltd.

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Jonathan Tennyson 's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

The HITRAN 2008 molecular spectroscopic database (2005) (7410)
The HITRAN2012 molecular spectroscopic database (2013) (2767)
HITEMP, the high-temperature molecular spectroscopic database (2010) (1488)
Water vapour in the atmosphere of a transiting extrasolar planet (2007) (656)
The 2017 Plasma Roadmap: Low temperature plasma science and technology (2017) (568)
A high-accuracy computed water line list (2006) (552)
A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA) (2012) (371)
The ab initio calculation of the vibrational‐rotational spectrum of triatomic systems in the close‐coupling approach, with KCN and H2Ne as examples (1982) (353)
Electron–molecule collision calculations using the R-matrix method (2010) (346)
The 2009 edition of the GEISA spectroscopic database (2011) (320)
The 2015 edition of the GEISA spectroscopic database (2016) (318)
Data structures for ExoMol: Molecular line lists for exoplanet and other atmospheres (2012) (313)
The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres (2016) (290)
High-Accuracy ab Initio Rotation-Vibration Transitions for Water (2003) (274)
Detection of H3+ on Jupiter (1989) (274)
ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K (2014) (266)
IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers (2013) (252)
In the wake of chaos. Unpredictable order in dynamical systems (1995) (250)
A variationally computed line list for hot NH3 (2010) (239)
THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY (2015) (237)
DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (2004) (230)
Experimental Energy Levels of the Water Molecule (2001) (220)
Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report) (2014) (208)
ExoMol molecular line lists XXX: a complete high-accuracy line list for water (2018) (199)
A chemical survey of exoplanets with ARIEL (2018) (198)
The calculation of the vibration-rotation energies of triatomic molecules using scattering coordinates (1986) (196)
A Population Study of Gaseous Exoplanets (2017) (191)
Spectroscopic properties of the H{sup +}{sub 3} molecule: A new calculated line list (1996) (187)
A general treatment of vibration‐rotation coordinates for triatomic molecules (1991) (184)
GTOBAS: fitting continuum functions with Gaussian-type orbitals (2002) (182)
RESON—A program for the detection and fitting of Breit-Wigner resonances (1984) (179)
MARVEL: measured active rotational-vibrational energy levels (2007) (179)
IUPAC Critical Evaluation of the Rotational-Vibrational Spectra of Water Vapor. Part II. Energy Levels and Transition Wavenumbers for HD16O, HD17O, and HD18O (2010) (174)
Virtual Atomic and Molecular Data Centre (2010) (170)
Water vapour in the atmosphere of the habitable-zone eight-Earth-mass planet K2-18 b (2019) (167)
Quantum dynamics of non-rigid systems comprising two polyatomic fragments (1983) (166)
The Variational Quantum Eigensolver: A review of methods and best practices (2021) (163)
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers for H217O and H218O (2009) (163)
A variationally computed T = 300 K line list for NH3. (2009) (155)
BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC) (2013) (153)
On equilibrium structures of the water molecule. (2005) (150)
UKRmol: a low-energy electron- and positron-molecule scattering suite (2012) (147)
The UK molecular R-matrix codes (1998) (146)
A global, high accuracy ab initio dipole moment surface for the electronic ground state of the water molecule. (2011) (142)
TAU-REX I: A NEXT GENERATION RETRIEVAL CODE FOR EXOPLANETARY ATMOSPHERES (2014) (139)
The potential energy surface of H2 16O (1996) (135)
A generalized approach to the calculation of ro-vibrational spectra of triatomic molecules (1986) (135)
DETECTION OF AN ATMOSPHERE AROUND THE SUPER-EARTH 55 CANCRI E (2015) (133)
LXCat : an open-access, web-based platform for data needed for modeling low temperature plasmas (2017) (130)
Ab initio calculation of the rotation–vibration energy levels of H3+ and its isotopomers to spectroscopic accuracy (1999) (130)
A 3000 K laboratory emission spectrum of water. (2005) (125)
JIM: A time‐dependent, three‐dimensional model of Jupiter's thermosphere and ionosphere (1998) (123)
Accurate partition function and thermodynamic data for water (2000) (121)
ExoMol line lists - III. An improved hot rotation-vibration line list for HCN and HNC (2013) (120)
Water on the sun: line assignments based on variational calculations. (1997) (119)
The virtual atomic and molecular data centre (VAMDC) consortium (2016) (118)
R-matrix calculations for polyatomic molecules: electron scattering by (1997) (116)
CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule. (2006) (115)
The near infrared, visible, and near ultraviolet overtone spectrum of water (1999) (115)
EChO - Exoplanet Characterisation Observatory (2010) (115)
Highly excited rovibrational states using a discrete variable representation: The H+3 molecular ion (1989) (114)
Improved HCN/HNC linelist, model atmospheres and synthetic spectra for WZ Cas (2005) (109)
All the vibrational bound states of H+3 (1990) (107)
Duo: A general program for calculating spectra of diatomic molecules (2016) (107)
Detection of H3(+) from Uranus (1993) (107)
Line lists for H218O and H217O based on empirical line positions and ab initio intensities (2012) (106)
A baseline spectroscopic study of the infrared auroras of Jupiter (1997) (105)
Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method (2007) (105)
Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond (2017) (104)
DVR3D: for the fully pointwise calculation of ro-vibrational spectra of triatomic molecules (1995) (103)
A spectroscopically determined potential energy surface for the ground state of H216O: A new level of accuracy (1994) (100)
ExoMol molecular line lists – XXXIII. The spectrum of Titanium Oxide (2019) (98)
On the rovibrational levels of the H3 ÷ and H2D ÷ molecules (1984) (98)
Highly rotationally excited states of floppy molecules: H2D+ with J ⩽ 20 (1986) (98)
An SCF potential energy surface for lithium cyanide (1982) (97)
New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2. (2008) (97)
Quantum dynamics of the van der Waals molecule (N2)2: An ab initio treatment (1982) (95)
Water Production Rates, Rotational Temperatures, and Spin Temperatures in Comets C/1999 H1 (Lee), C/1999 S4, and C/2001 A2 (2005) (95)
Spectroscopy of H 3 + : planets, chaos and the Universe (1995) (95)
Water production and release in Comet 153P/Ikeya-Zhang (C/2002 C1): accurate rotational temperature retrievals from hot-band lines near 2.9-μm (2004) (94)
Quantum monodromy in the spectrum of H2O and other systems: new insight into the level structure of quasi-linear molecules (1999) (94)
Xenon in CO2 well gas revisited (1978) (94)
A room temperature CO2 line list with ab initio computed intensities (2016) (93)
The role of H3+in planetary atmospheres (2000) (92)
Vibration-rotation levels of water beyond the Born-Oppenheimer approximation (1996) (92)
Spectroscopically determined potential energy surface of H216O up to 25 000 cm−1 (2003) (91)
METHANE IN THE ATMOSPHERE OF THE TRANSITING HOT NEPTUNE GJ436B? (2010) (91)
EXOCROSS: a general program for generating spectra from molecular line lists (2018) (89)
The Water Vapor Spectrum in the Region 8600-15 000 cm(-1): Experimental and Theoretical Studies for a New Spectral Line Database. (2001) (89)
R-matrix calculation of Rydberg states of CO (1996) (89)
Triatom: programs for the calculation of ro-vibrational spectra of triatomic molecules (1993) (88)
Infrared emissions of H3(+) in the atmosphere of Jupiter in the 2. 1 and 4. 0 micron region (1990) (88)
Ab initio global potential, dipole, adiabatic, and relativistic correction surfaces for the HCN-HNC system (2001) (88)
ExoMol line lists – XVIII. The high-temperature spectrum of VO (2016) (86)
ExoMol line lists – VII. The rotation–vibration spectrum of phosphine up to 1500 K (2014) (86)
High-Accuracy CO(2) Line Intensities Determined from Theory and Experiment. (2015) (86)
A high accuracy computed line list for the HDO molecule (2010) (85)
Variationally exact ro-vibrational levels of the floppy CH2+ molecule (1983) (85)
Identification of features due to H3 + in the infrared spectrum of supernova 1987A (1992) (83)
The science of ARIEL (Atmospheric Remote-sensing Infrared Exoplanet Large-survey) (2015) (82)
Vibrational transition moments of CH4 from first principles (2013) (82)
 ?> -REx. II. RETRIEVAL OF EMISSION SPECTRA (2015) (81)
On the use of variational wavefunctions in calculating vibrational band intensities (1992) (81)
The potential energy surface of $H_{2}^{16}O$ (1996) (81)
All the bound vibrational states of H3+: A reappraisal (1993) (80)
A new ab initio ground-state dipole moment surface for the water molecule. (2008) (80)
A new algorithm for Hamiltonian matrix construction in electron - molecule collision calculations (1996) (80)
Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range. (2012) (79)
Temperature-dependent molecular absorption cross sections for exoplanets and other atmospheres (2012) (79)
A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions. (2005) (78)
Self-consistent chaos in the beam-plasma instability (1994) (77)
IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part IV. Energy levels and transition wavenumbers for D216O, D217O, and D218O (2014) (76)
Water vapour line assignments in the 9250–26 000 cm−1 frequency range (2005) (76)
Electron impact dissociative excitation of water within the adiabatic nuclei approximation (2002) (76)
Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study (2011) (76)
The discovery of a very cool, very nearby brown dwarf in the Galactic plane (2010) (75)
Determination of the topography of cytochrome b5 in lipid vesicles by fluorescence quenching. (1985) (75)
Can ortho-para transitions for water be observed? (2004) (75)
Estimation of Lamb-shift effects for molecules: Application to the rotation-vibration spectra of water (2001) (74)
Electron impact ionization of small molecules at intermediate energies: the molecular R-matrix with pseudostates method (2005) (74)
IUPAC critical evaluation of the rotational-vibrational spectra of water vapor, Part III: Energy levels and transition (2013) (74)
MARVEL analysis of the measured high-resolution spectra of 14NH3 (2015) (73)
Spectrum of hot methane in astronomical objects using a comprehensive computed line list (2014) (73)
The Water Vapor Spectrum in the Region 8600-15 000 cm(-1): Experimental and Theoretical Studies for a New Spectral Line Database. (2001) (73)
Variationally exact rovibrational spectra of nonrigid triatomics: The HeHF van der Waals molecule (1983) (72)
Calibration-quality adiabatic potential energy surfaces for H3(+) and its isotopologues. (2012) (72)
Bound states using the R-matrix method: Rydberg states of HeH (1991) (72)
A database of water transitions from experiment and theory (IUPAC Technical Report) (2014) (72)
Theoretical methods for small-molecule ro-vibrational spectroscopy (2010) (72)
First-principles prediction and partial characterization of the vibrational states of water up to dissociation (2010) (71)
Imaging Jupiter's aurorae from H+ 3 emissions in the 3–4 μm band (1991) (71)
Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium (2002) (71)
ExoMol molecular line lists - XVII. The rotation-vibration spectrum of hot SO3 (2016) (70)
IUPAC Technical report (2014) (70)
Mid-to-Low Latitude H+3Emission from Jupiter☆ (1997) (70)
A TABLE OF ASTRONOMICALLY IMPORTANT RO-VIBRATIONAL TRANSITIONS FOR THE H-3(+) MOLECULAR ION (1991) (69)
Electron-impact rotational excitation of linear molecular ions (2001) (69)
An upper limit for water dimer absorption in the 750 nm spectral region and a revised water line list (2010) (69)
The 2020 release of the ExoMol database: Molecular line lists for exoplanet and other hot atmospheres (2020) (68)
Influence of a new potential energy surface on the rotational (de)excitation of H2O by H2 at low temperature (2006) (68)
Ab initio investigation of the bound rovibrational states in the electronic ground state of HeN+2 (1988) (67)
Calculation of the rotation–vibration states of water up to dissociation (1998) (67)
A hybrid line list for CH4 and hot methane continuum. (2017) (66)
ExoMol molecular line lists V: the ro-vibrational spectra of NaCl and KCl (2013) (66)
Cross Sections for Electron Collisions with Methane (2015) (65)
Overtone bands of H3+: First principle calculations (1988) (65)
Calculation of rotation-vibration energy levels of the water molecule with near-experimental accuracy based on an ab initio potential energy surface. (2013) (65)
UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method (2019) (64)
Low-energy positron collisions with water: elastic and rotationally inelastic scattering (2004) (64)
RESONANCE PARAMETERS AND QUANTUM DEFECTS FOR SUPEREXCITED H2 (1996) (63)
Astronomical Spectroscopy: An Introduction to the Atomic and Molecular Physics of Astronomical Spectra (2005) (63)
The science of EChO (2010) (63)
A High-Temperature Partition Function for H3+ (1995) (62)
R-matrix calculation of low-energy electron collisions with uracil. (2009) (61)
Monodromy in the water molecule (2005) (61)
Atomic and molecular data for spacecraft re-entry plasmas (2016) (59)
Accurate bond dissociation energy of water determined by triple-resonance vibrational spectroscopy and ab initio calculations (2013) (59)
Vibrational and rotational cooling of H3 (2002) (59)
Electron interaction cross sections for CF3I, C2F4, and CFx (x=1-3) radicals (2006) (59)
ExoMol molecular line lists - XIII: The spectrum of CaO (2015) (59)
Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H2(16)O, H2(17)O, and H2(18)O. (2008) (59)
Molecular effects in investigations of tritium molecule beta decay endpoint experiments (2006) (59)
Low-energy electron-H2+ collisions: variation of resonance parameters with internuclear separation (1985) (58)
Electron impact excitation cross sections for CO (1993) (58)
Electron-impact rotational excitation of water (2004) (58)
Electron?H+3 collisions at intermediate energies (2004) (58)
Dissociative recombination of NO+: calculations and comparison with experiment (2000) (57)
Re-analysis of ammonia spectra: Updating the HITRAN 14NH3 database (2013) (56)
H3+ cooling in planetary atmospheres. (2010) (56)
Spectroscopically determined potential energy surfaces of the H216O, H217O, and H218O isotopologues of water (2006) (56)
Quantum and classical vibrational chaos in floppy molecules (1985) (56)
BLIND EXTRACTION OF AN EXOPLANETARY SPECTRUM THROUGH INDEPENDENT COMPONENT ANALYSIS (2013) (55)
Ab initio SCF calculations on the potential energy surface of potassium cyanide (KCN) (1981) (55)
Uncertainty estimates for theoretical atomic and molecular data (2016) (54)
Calculation of the O-H stretching vibrational overtone spectrum of the water dimer. (2008) (54)
Accurate variational calculations for line lists to model the vibration–rotation spectra of hot astrophysical atmospheres (2012) (54)
The influence of H2O line blanketing on the spectra of cool dwarf stars (1994) (54)
K-Band Spectrum of Water in Sunspots (1997) (54)
ExoMol molecular line lists - XVI: The rotation-vibration spectrum of hot H$_2$S (2016) (54)
Comparison between theoretical calculations and high-resolution measurements of pressure broadening for near-infrared water spectra (2008) (53)
Dissociative recombination without curve crossing: study of HeH+ (1994) (53)
Relativistic correction to the potential energy surface and vibration-rotation levels of water (1998) (53)
Calculated spectra for HeH+ and its effect on the opacity of cool metal‐poor stars (2004) (53)
The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the $X\,{}^2\Sigma^+$ state: a theoretical study (2012) (52)
Vibration–rotation transition dipoles from first principles (2014) (52)
An ISO Long Wavelength Spectrometer detection of CH in NGC 7027 and an HeH + upper limit (1997) (52)
New studies of the visible and near‐infrared absorption by water vapour and some problems with the HITRAN database (2000) (52)
Electronic excitation of the b 3Σu+ state of H2 using the R-matrix method (1985) (52)
Perspective: Accurate ro-vibrational calculations on small molecules. (2016) (52)
Calculated rotational and ro-vibrational transitions in the spectrum of H3+ (1988) (52)
State-selective spectroscopy of water up to its first dissociation limit. (2009) (52)
Low-energy electron impact excitation of the nitrogen molecule: optically forbidden transitions (1996) (52)
High temperature partition functions and thermodynamic data for ammonia and phosphine (2014) (52)
Electronic excitation of molecular hydrogen using the R-matrix method (1990) (52)
A dissociative electron attachment cross-section estimator (2012) (52)
Overtone spectroscopy of H2D+ and D2H+ using laser induced reactions. (2007) (51)
First principles calculation of the molecular constants of H3+, H2D+, D2H+, and D3+ (1987) (51)
Ab initio ro-vibrational levels of H3+ beyond the Born-Oppenheimer approximation (1995) (51)
Electron collisions with polyatomic molecules using the R–matrix method (1999) (51)
The ExoMol project: Software for computing large molecular line lists (2016) (51)
ExoMol molecular line lists – XXXV. A rotation-vibration line list for hot ammonia (2019) (51)
ExoMol line lists – VIII. A variationally computed line list for hot formaldehyde (2015) (51)
Room temperature line lists for CO2 symmetric isotopologues with ab initio computed intensities (2017) (50)
The ab initio calculation of spectra of open shell diatomic molecules (2016) (50)
Marvel Analysis of the Measured High-resolution Rovibronic Spectra of 90Zr16O (2017) (49)
New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4 (2004) (49)
ExoMol molecular line lists: IX The spectrum of AlO (2015) (47)
Low-energy electron scattering by the NO molecule (1986) (47)
An accurate, global, ab initio potential energy surface for the H+ 3 molecule (2000) (47)
Dissociative electron attachment and electron-impact resonant dissociation of vibrationally excited O-2 molecules (2015) (47)
Dicretization to avoid singularities in vibration–rotation Hamiltonians: A bisector embedding for AB2 triatomics (1992) (47)
Radiative cooling functions for primordial molecules (2011) (47)
A computed room temperature line list for phosphine (2013) (46)
New Assignments for the Infrared Spectrum of H3 (1997) (46)
Infrared Transition Intensities for Water: A Comparison of ab-Initio and Fitted Dipole Moment Surfaces (1995) (46)
EXPERIMENTAL ENERGY LEVELS AND PARTITION FUNCTION OF THE 12C2 MOLECULE (2016) (46)
Electron and positron collisions with polar molecules: studies with the benchmark water molecule (2009) (46)
Opacity Data for HCN and HNC from a New Ab Initio Line List (2002) (45)
Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene. (2005) (44)
Electron-impact resonant vibration excitation cross sections and rate coefficients for carbon monoxide (2012) (44)
Marvel analysis of the measured high-resolution rovibrational spectra of H232S (2017) (44)
Spectroscopic line parameters of NO, NO2, and N2O for the HITEMP database (2019) (44)
Estimate of the J′J″ dependence of water vapor line broadening parameters (2010) (44)
Water in the atmosphere of HD 209458b from 3.6–8 μm IRAC photometric observations in primary transit (2010) (44)
Bands of H3+ up to 4ν2: Rovibrational transitions from first principles calculations (1992) (44)
Fluorescence quenching of cytochrome b5 in vesicles with an asymmetric transbilayer distribution of brominated phosphatidylcholine. (1986) (44)
Electron-impact resonant vibrational excitation and dissociation processes involving vibrationally excited N2 molecules (2014) (43)
On the chemistry and distribution of HOC+ in M 82 More evidence for extensive PDRs (2008) (43)
Weak Line Water Vapor Spectra in the Region 13 200-15 000 cm -1 (2002) (43)
The ExoMol Atlas of Molecular Opacities (2018) (43)
Accurate ab initio vibrational energies of methyl chloride. (2015) (43)
Laboratory spectra of hot molecules: data needs for hot super-Earth exoplanets (2017) (43)
Water in exoplanets (2012) (43)
The generation of continuum orbitals for molecular r-matrix calculations using lagrange orthogonalisation (1987) (43)
Calculation of the high angular momentum dissociation limit for H3+ and H2D+ (1988) (42)
Hot Bands of Water in the ν2Manifold up to 5ν2-4ν2 (1997) (42)
CONTINUUM STATES OF THE HYDROGEN MOLECULE WITH THE R-MATRIX METHOD (1986) (42)
The near ultraviolet rotation-vibration spectrum of water (2000) (42)
Carbon Monoxide in low-mass dwarf stars (2004) (41)
A PROGRAM SUITE FOR THE CALCULATION OF RO-VIBRATIONAL SPECTRA OF TRIATOMIC-MOLECULES (1989) (41)
Infrared emission spectrum of hot D2O (2006) (41)
Near-threshold electron impact dissociation of H 2 within the adiabatic nuclei approximation (1999) (41)
Low-energy, elastic positron-molecule collisions using the R-matrix method: e+-He2 and e+-N2 (1986) (41)
Non-equilibrium vibrational and electron energy distributions functions in atmospheric nitrogen ns pulsed discharges and μs post-discharges: the role of electron molecule vibrational excitation scaling-laws (2015) (41)
R-matrix theory of electron molecule scattering (2005) (41)
Ab initio vibrational-rotational spectrum of potassium cyanide: KCN (1982) (41)
A H13CN/HN13C linelist, model atmospheres and synthetic spectra for carbon stars (2008) (41)
ExoMol molecular line lists XIX: high accuracy computed hot line lists for H218O and H217O (2017) (41)
A global potential energy surface for the H 3 + molecule (1997) (41)
Spectral analysis of water vapour in cool stars (2001) (41)
Detection of water vapour absorption around 363 nm in measured atmospheric absorption spectra and its effect on DOAS evaluations (2016) (40)
Terahertz spectroscopy of hydrogen sulfide (2013) (40)
Spectrum of hot water in the 2000-4750 cm 1 frequency range (2006) (40)
HDO absorption spectrum above 11 500 cm-1: Assignment and dynamics (2007) (40)
Global spectroscopy of the water monomer (2012) (40)
ExoMol molecular line lists – XXVII. Spectra of C2H4 (2018) (40)
Water line parameters from refitted spectra constrained by empirical upper state levels : Study of the 9500-14,500 cm- 1 region (2008) (40)
Dream or Reality: Complete Basis Set Full Configuration Interaction Potential Energy Hypersurfaces (2001) (40)
Electron-impact rotational and hyperfine excitation of HCN, HNC, DCN and DNC (2007) (40)
An ab initio study of singlet and triplet Rydberg states of N2 (2013) (40)
HELIOS-K 2.0 Opacity Calculator and Open-source Opacity Database for Exoplanetary Atmospheres (2021) (40)
H2 Quadrupole and H3+ Emission from Uranus: The Uranian Thermosphere, Ionosphere, and Aurora (1999) (39)
First principles calculation of rotational and ro-vibrational line strengths (1989) (39)
Spectroscopically determined Born–Oppenheimer and adiabatic surfaces for H3+, H2D+, D2H+, and D3+ (1995) (39)
QDB: a new database of plasma chemistries and reactions (2017) (39)
Band origins for water up to 22 000 cm-1 : a comparison of spectroscopically determined potential energy surfaces (1991) (39)
Latitudinal Temperature Variations of Jovian H+3 (1994) (38)
Pressure-dependent water absorption cross sections for exoplanets and other atmospheres (2016) (38)
Study of the electronic and rovibronic structure of the X ²Σ⁺, A ²Π, and B ²Σ⁺ states of AlO. (2014) (38)
Dipole Moments of Highly Vibrationally Excited Water (2002) (38)
A Spectroscopically Determined Potential Energy Surface for H + 3 (1994) (38)
Rates for the Electron Impact Dissociation of Molecular Hydrogen (1999) (38)
Emission spectrum of hot HDO below 4000 cm(-1) (2003) (38)
Reactive collisions between electrons and NO+ ions: rate coefficient computations and relevance for the air plasma kinetics (2006) (38)
Hot Bands of Water up to 6ν2–5ν2in the 933–2500 cm−1Region (1999) (37)
Beyond ro-vibrational separation (1988) (37)
A new relational database structure and online interface for the HITRAN database (2013) (37)
Radiative lifetimes and cooling functions for astrophysically important molecules (2016) (37)
Deuterated hydrogen chemistry: partition functions, equilibrium constants and transition intensities for the H+3 system (2004) (37)
Pressure broadening of water and carbon monoxide transitions by molecular hydrogen at high temperatures (2013) (37)
Differential cross sections for elastic positron-H2 collisions using the R-matrix method (1990) (36)
A highly accurate ab initio potential energy surface for methane. (2016) (36)
Resonant vibrational-excitation cross sections and rate constants for low-energy electron scattering by molecular oxygen (2013) (36)
Electron- scattering resonances as a function of bond length (1998) (36)
Potential energy surface of HDO up to 25,000 cm-1. (2008) (36)
The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres (2020) (35)
A Decade with VAMDC: Results and Ambitions (2020) (35)
Electron collisions with the CF2 radical using the R-matrix method (2002) (35)
Spectrum of hot water in the 4750–13 000 cm−1 wavenumber range (0.769–2.1 μm) (2008) (35)
Definitive Ideal-Gas Thermochemical Functions of the H216O Molecule (2016) (35)
RESONANCE TRANSPORT IN NEAR-INTEGRABLE SYSTEMS WITH MANY DEGREES OF FREEDOM (1982) (35)
Low-energy e-H2+ collisions using the R-matrix method (1984) (35)
The calculated rovibronic spectrum of scandium hydride, ScH (2015) (35)
ExoMol linelists XXVIII: the rovibronic spectrum of AlH (2018) (34)
ExoMol line list – XXI. Nitric Oxide (NO) (2017) (34)
Ab initio rovibrational spectroscopy of hydrogen sulfide (2001) (34)
ExoMol molecular line lists - XXIII. Spectra of PO and PS (2017) (34)
Two-electron relativistic corrections to the potential energy surface and vibration–rotation levels of water (2001) (34)
Electron-impact rotational excitation of CH+ (1999) (34)
Laboratory observation of the 2nu2 band of the H3(+) molecular ion (1989) (34)
Routes to Vibrational Chaos in Triatomic-Molecules (1985) (34)
Vibrationally and rotationally nonadiabatic calculations on H 3 + using coordinate-dependent vibrational and rotational masses (2013) (34)
Water line parameters for weak lines in the range 7400-9600 cm(-1) (2003) (34)
Symmetry and structure of rotating H 3 (1999) (33)
Accurate line intensities for water transitions in the infrared: Comparison of theory and experiment (2017) (33)
R -matrix calculation of electron collisions with electronically excited O 2 molecules (2006) (33)
Time-delay matrix analysis of resonances in electron scattering: - and (1996) (33)
Accurate specific molecular state densities by phase space integration (1992) (33)
Calculated spectra for the N2-Ar van der Waals complex (1990) (33)
H3+ in space (1993) (33)
Observation of the 3ν2 ← 0 overtone band of H3+ (1991) (33)
Regular/irregular phase space structure of HCN/HNC (1988) (33)
Accurate empirical rovibrational energies and transitions of H216O. (2019) (33)
Electron collisions with the CF3 radical using the R-matrix method (2003) (33)
First-principles rotation-vibration spectrum of water above dissociation (2011) (33)
Temperature dependent partition functions and equilibrium constant for HCN and HNC (2002) (33)
Beyond the Born–Oppenheimer approximation: High-resolution overtone spectroscopy of H2D+ and D2H+ (2002) (33)
The Role of HeH+ in Cool Helium-rich White Dwarfs (2004) (33)
Monodromy of the LiNC/NCLi molecule (2003) (32)
Intracavity laser absorption spectroscopy of HDO between 12 145 and 13 160 cm−1 (2005) (32)
Spectroscopy of H3+ based on a new high-accuracy global potential energy surface (2012) (32)
The ground-state potential energy surface of water: barrier to linearity and its effect on the vibration–rotation levels (2000) (32)
A variationally calculated room temperature line-list for H2O2 (2015) (32)
Electron-impact excitation of diatomic hydride cations – I. HeH+, CH+, ArH+ (2015) (32)
ExoMol molecular line lists – XX. A comprehensive line list for H3+ (2017) (32)
Ab initio rotation-vibration energy levels of triatomics to spectroscopic accuracy. (2002) (32)
Continuous-wave cavity ringdown spectroscopy of the 8nu polyad of water in the 25,195-25,340 cm(-1) range. (2005) (32)
Asymmetric adiabatic correction to the rotation–vibration levels of H2D+ and D2H+ (1995) (32)
Critical evaluation of measured rotational–vibrational transitions of four sulphur isotopologues of S16O2 (2018) (31)
The Potential Energy Surface of Hydrogen Sulfide (1996) (31)
Electron collisions with the CF radicals using the R-matrix method (2003) (31)
Exomol molecular line lists - VI. A high temperature line list for phosphorus nitride (2014) (31)
TIMEDEL: A program for the detection and parameterization of resonances using the time-delay matrix (1998) (31)
CHARACTERIZING THE ATMOSPHERES OF TRANSITING PLANETS WITH A DEDICATED SPACE TELESCOPE (2011) (31)
Hot band transition frequencies and line strengths in H3+: First principles calculations (1989) (31)
CORRIGENDUM: Ab initio potential energy curves of Rydberg, valence and continuum states of NO (1997) (31)
Near-threshold rotational excitation of molecular ions by electron impact (2006) (31)
What astronomy has learned from observations of (1994) (30)
MAX-DOAS measurements of HONO slant column densities during the MAD-CAT campaign: inter-comparison, sensitivity studies on spectral analysis settings, and error budget (2017) (30)
R-matrix calculation of the bound and continuum states of the - system (1996) (30)
ExoMol molecular line lists – XXXVII. Spectra of acetylene (2020) (30)
High-accuracy water potential energy surface for the calculation of infrared spectra (2018) (30)
Predicted vibration-rotation levels of HeH2+ and its isotopomers (1987) (30)
Lightning chemistry on Earth-like exoplanets (2017) (30)
Ab initio dipole surfaces, vibrationally averaged dipole moments, and infrared transition intensities for KCN and LiCN (1984) (30)
Rovibrational relaxation model for H3+ (2004) (30)
Excitations to the electronic continuum of 3HeT+ in investigations of T2 β-decay experiments (2008) (30)
Using Laboratory Spectroscopy to Identify Lines in the K- and L-Band Spectrum of Water in a Sunspot (2000) (30)
Cooling by H3(+) emission. (2013) (30)
TRIATOM, SELECT and ROTLEV ― for the calculation of the ro-vibrational levels of triatomic molecules (1986) (30)
VAMDC - The Virtual Atomic and Molecular Data Centre - A new way to disseminate atomic and molecular data - VAMDC level 1 release (2011) (29)
Fully vibrationally resolved photoionisation of H2 and D2 (1987) (29)
Nonlinear normal modes and local bending vibrations of H+3 and D+3 (1993) (29)
Calculated cross sections for electron collisions with NF3, NF2 and NF with applications to remote plasma sources (2017) (29)
Forbidden rotational and rovibrational transitions in H3+: First principles calculations (1990) (29)
Differential cross sections for electronic excitation of molecular hydrogen using the R-matrix method (1991) (29)
Dissociative recombination of N-2(+) : An ab initio study (2014) (29)
The identification of HCN and HNC in carbon stars: model atmospheres, synthetic spectra and fits to observations in the 2.7–4.0 μm region (2003) (29)
VUV and low energy electron impact study of electronic state spectroscopy of CF3I (2003) (29)
R-matrix calculations of low-energy electron collisions with methane (2014) (29)
A calculation of the rovibrational spectra of the H3/ , H2D and D2H molecules (1985) (28)
Room temperature line lists for deuterated water (2017) (28)
Relative equilibria of D2H + and H2D+ (2000) (28)
A computed line list for the H2D+ molecular ion (2010) (28)
An effective computational approach to the calculation of the vibration-rotation spectra of triatomic molecules (1988) (28)
Methane and ammonia in the near-infrared spectra of late-T dwarfs (2015) (28)
Carbon monoxide dissociative attachment and resonant dissociation by electron-impact (2016) (28)
Analysis of hot D2O emission using spectroscopically determined potentials. (2004) (28)
Continuum and bound states of the e--CH+ system using the R-matrix method (1988) (28)
The role of H^+_3 in planetary atmospheres (2000) (28)
Ab initio rovibrational spectrum of LiNC and LiCN (1983) (28)
Calculating energy levels of isomerizing tetra-atomic molecules. I. The rovibrational bound states of Ar2HF (2003) (28)
Quantum mechanics of highly excited states of the H+3 molecular ion: A numerical study of the two degree of freedom C2v subspace (1990) (28)
The effective temperature and metallicity of CM Draconis (1997) (28)
Partitioned R-matrix theory for molecules (2004) (27)
AB INITIO CALCULATIONS OF VIBRATIONALLY RESOLVED RESONANCES IN ELECTRON COLLISIONS WITH H2, HD, AND D2 (1997) (27)
Laboratory Spectroscopy of Hot Water near 2 Microns and Sunspot Spectroscopy in the H-Band Region (2002) (27)
Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using the R-matrix with pseudo-states method (2011) (27)
Quantum vibrational chaos in the ArHCl van der Waals molecule (1985) (27)
ExoMol molecular line lists - X. The spectrum of sodium hydride (2015) (27)
ExoMol line lists – XXXIX. Ro-vibrational molecular line list for CO2 (2020) (27)
On the use of pseudostates to calculate molecular polarizabilities (2010) (27)
UKIRT Observations of the Impact and Consequences of Comet Shoemaker-Levy 9 on Jupiter (1997) (27)
Differential cross sections for near-threshold electron impact dissociation of molecular hydrogen (2001) (27)
ExoMol line lists XXIV: a new hot line list for silicon monohydride, SiH (2017) (26)
DVR3D : programs for fully pointwise calculation of vibrational spectra (1993) (26)
The impact of new water vapour spectral line parameters on the calculation of atmospheric absorption (2001) (26)
Benchmark calculations of first principles rotation and ro-vibrational line strengths (1989) (26)
Near infrared second overtone cw-cavity ringdown spectroscopy of D2H+ ions (2006) (26)
Variational methods for the calculation of rovibrational energy levels of small molecules (1987) (26)
Rotational cooling of HD+ molecular ions by superelastic collisions with electrons. (2009) (26)
VIBRATIONAL CHAOS IN KCN - A COMPARISON OF QUANTUM AND CLASSICAL CALCULATIONS (1984) (26)
Weak line water vapor spectrum in the 11,787–13,554 cm−1 region (2002) (26)
Asymptotic vibrational states of the H3+ molecular ion (2005) (25)
Water in the near-infrared spectrum of comet 8P/Tuttle (2008) (25)
Calculating quasi-bound rotation-vibrational states of HOCl using massively parallel computers (2002) (25)
A spectroscopic linelist for hot water (1997) (25)
Polarization effects in electron collisions with Li2: application of the molecular R-matrix method with pseudostates (2008) (25)
Electron collisions with the CN radical: bound states and resonances (2012) (25)
Gateway states and bath states in the vibrational spectrum of H+3 (1993) (25)
NON-EQUILIBRIUM H2 FORMATION IN THE EARLY UNIVERSE: ENERGY EXCHANGES, RATE COEFFICIENTS, AND SPECTRAL DISTORTIONS (2012) (25)
Hybrid variational–perturbation method for calculating ro-vibrational energy levels of polyatomic molecules (2014) (25)
Original Research By Young Twinkle Students (ORBYTS): when can students start performing original research? (2017) (25)
Partition functions and equilibrium constants for H3+ and H2D+ (1992) (25)
Erratum: Quantum dynamics of the van der Waals molecule (N2)2: An abinitio treatment [J. Chem. Phys. 77, 5664 (1982)] (1984) (25)
On the vibrational Born-Oppenheimer separation scheme for molecules with regular and chaotic states (1986) (24)
ExoMol line lists - XXII. The rotation-vibration spectrum of silane up to 1200 K (2017) (24)
Calculated rotational and rovibrational spectra of D2S and HDS (1990) (24)
Bound and quasi-bound rotation-vibrational states using massively parallel computers ✩ (2000) (24)
Calculated rotational and vibrational excitation rates for electron-HeH+ collisions (1998) (24)
Ab initio rotation-vibration spectra of HCN and HNC. (2002) (24)
State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions. (2017) (24)
Very highly excited vibrational states of LiCN using a discrete variable representation (1990) (23)
Many-body contributions to the intermolecular potential in alkali halide crystals and clusters (1981) (23)
Fourier transform absorption spectra of H218O and H217O in the 3ν + δ and 4ν polyad region (2005) (23)
Highly accurate intensity factors of pure CO2 lines near 2 μm. (2017) (23)
Water vapor line width and shift calculations with accurate vibration–rotation wave functions (2008) (23)
Calculated vibrational excitation rates for electron – $H_{2}^{+}$ collisions (1993) (23)
Treating linear molecule HCCH in calculations of rotation-vibration spectra. (2018) (23)
ExoMol molecular line lists – XII. Line lists for eight isotopologues of CS (2015) (23)
W2020: A Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of H216O (2020) (23)
Calculated ro-vibrational fine-structure spectrum and weak-field zeeman splittings of the O2Ar van der Waals molecule (1983) (23)
R-matrix study of elastic and inelastic electron collisions with cytosine and thymine (2012) (23)
An ab initio variationally computed room-temperature line list for (32)S(16)O3. (2013) (23)
ExoMol line lists – I. The rovibrational spectrum of BeH, MgH and CaH in the X 2Σ+ state (2012) (23)
ExoMol line lists – XV. A new hot line list for hydrogen peroxide (2016) (23)
An R-matrix study of singlet and triplet continuum states of N2 (2014) (22)
Molecular line lists for modelling the opacity of cool stars (2007) (22)
Molecular cross-sections for high-resolution spectroscopy of super-Earths, warm Neptunes, and hot Jupiters (2020) (22)
Near-Infrared Water Lines in V838 Monocerotis (2005) (22)
Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models (2007) (22)
Calculation of rate constants for vibrational and rotational excitation of the H+3 ion by electron impact (2010) (22)
Calculated high-temperature partition function and related thermodynamic data for H216O (1998) (22)
Water in HD 209458b's atmosphere from 3.6 - 8 microns IRAC photometric observations in primary transit (2009) (22)
ExoMol line lists XXXI: spectroscopy of lowest eights electronic states of C2 (2018) (22)
High accuracy CO2 line intensities determined from theory and experiment (2015) (22)
Rotational transitions induced by collisions ofHD+ions with low-energy electrons (2014) (22)
Spectroscopy from first principles: a breakthrough in water line assignments (1999) (22)
The UK Molecular R-Matrix Scattering Package: a Computational Perspective (1995) (22)
Variational calculations of vibrational energy levels for XY4 molecules: 2. Bending states of methane (2002) (21)
The dipole moment surface for hydrogen sulfide H2S (2015) (21)
Discrete variable representations of large-amplitude ro-vibrational states in a generalised coordinate system (1990) (21)
Vibrationally resolved electron HeH+ collisions using the non-adiabatic R-matrix method (1991) (21)
Towards sympathetic cooling of large molecules: cold collisions between benzene and rare gas atoms (2009) (21)
Water dimer vibration-rotation tunnelling levels from vibrationally averaged monomer wavefunctions (2010) (21)
Resonant States of H3+ and D2H+. (2008) (21)
Original Research by Young Twinkle Students (Orbyts): Ephemeris Refinement of Transiting Exoplanets II (2020) (21)
Ro-vibrational spectra of C2H2 based on variational nuclear motion calculations (2010) (21)
ExoMol molecular line lists – XI. The spectrum of nitric acid (2015) (21)
Quantum‐Mechanical Calculations of Cross Sections for Electron Collisions With Atoms and Molecules (2016) (21)
High-resolution absorption measurements of NH3 at high temperatures: 500-2100 cm 1 (2015) (21)
Electron-impact vibrational excitation of vibrationally excited H 2 molecules involving the resonant 2 Σ g + Rydberg-excited electronic state (2013) (21)
Computed infrared absorption properties of hot water vapour (1995) (21)
Variational calculation of highly excited rovibrational energy levels of H2O2. (2013) (21)
Improved potential energy surface and spectral assignments for ammonia in the near-infrared region (2018) (21)
Low-energy electron collisions with C2 using the R-matrix method (2006) (21)
Analysis of high temperature ammonia spectra from 780 to 2100 cm−1 (2011) (20)
R-matrix calculations of vibrationally resolved positron-N2 scattering cross sections (1991) (20)
Creating ultracold molecules by collisions with ultracold rare-gas atoms in an optical trap (2008) (20)
Empirical rovibrational energy levels of ammonia up to 7500 cm−1 (2020) (20)
Calculation of rotation-vibration energy levels of the ammonia molecule based on an ab initio potential energy surface (2016) (20)
The ExoMol pressure broadening diet: H 2 and He line-broadening parameters (2017) (20)
Electron collision with the HCN and HNC molecules using the R-matrix method (2007) (20)
Low and intermediate energy electron collisions with the C−2 molecular anion (2008) (20)
The First Measurements of the Electron Density Enhancements Expected in C-Type Shocks (2006) (20)
The W2020 Database of Validated Rovibrational Experimental Transitions and Empirical Energy Levels of Water Isotopologues. II. H217O and H218O with an Update to H216O (2020) (20)
Rate coefficients for electron-impact rotational excitation of H3+ and H3O+ (2003) (20)
Dissociative electron attachment to vibrationally excited H2 molecules involving the 2Σg+ resonant Rydberg electronic state (2012) (20)
Positron collisions with acetylene calculated using the R-matrix with pseudo-states method (2011) (20)
MARVEL Analysis of the Measured High-resolution Rovibronic Spectra of 48Ti16O (2017) (20)
A near infrared line list for NH3: Analysis of a Kitt Peak spectrum after 35 years (2016) (20)
A global potential energy surface for H3+ (2018) (19)
ROTIONS: A program for the calculation of rotational excitation cross sections in electron—molecular ion collisions (1998) (19)
Zero point energy of H$_{\mathsf{3}}^{\vec +}$ and its deuterated isotopomers (2003) (19)
The metallicity of CM Draconis (2002) (19)
Rotation-vibration states of H+3 at dissociation (2003) (19)
The visible and near ultraviolet rotation-vibration spectrum of HOD (2001) (19)
Roadmap on photonic, electronic and atomic collision physics: II. Electron and antimatter interactions (2019) (19)
R-matrix calculations of low-energy electron alkane collisions (2008) (19)
The water vapor spectrum in the region 8800-15 000 cm(-1): Experimental and theoretical studies for a new spectral line database. II. Linelist construction (2001) (19)
Cross Sections for Electron Collisions with Acetylene (2017) (19)
Bound and continuum states of molecular anions C2H− and C3N− (2011) (19)
Electron collisions with OClO using the R-matrix method (2001) (19)
Introduction to the theory of atomic and molecular collisions (1990) (19)
ExoMol line lists II: The ro-vibrational spectrum of SiO (2013) (19)
Comment on `Potential energy surfaces of excited states of H2−' (Chem. Phys. Lett. 285 (1998) 114–120) (1999) (18)
A highly accurate ab initio dipole moment surface for the ground electronic state of water vapour for spectra extending into the ultraviolet. (2018) (18)
On the calculation of electron-impact rotational excitation cross sections for molecular ions (1998) (18)
Rotational and polarisation effects in low-energy positron-CO collisions using the R-matrix method (1987) (18)
Electron collision with the silicon monoxide (SiO) molecule using the R-matrix method (2009) (18)
Deuterated water: partition functions and equilibrium constants (2005) (18)
Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix method. (2012) (18)
Spectral analysis of high resolution near-infrared spectra of ultra cool dwarfs (2007) (18)
Analysis of an 18O and D enhanced water spectrum and new assignments for HD18O and D218O in the near-infrared region (6000–7000 cm−1) using newly calculated variational line lists (2012) (18)
Identifiable Acetylene Features Predicted for Young Earth-like Exoplanets with Reducing Atmospheres Undergoing Heavy Bombardment (2019) (18)
Calculated ro-vibrational spectrum of H2D+ (1985) (18)
Rotational spectrum of SO3 and theoretical evidence for the formation of sixfold rotational energy-level clusters in its vibrational ground state. (2014) (18)
Electron-molecule collisions at low and intermediate energies using the R-matrix method (2005) (18)
Electron collisions with Cl2O using the R-matrix method (2001) (18)
H3+ near dissociation: theoretical progress (2000) (18)
Recommended Ideal-Gas Thermochemical Functions for Heavy Water and its Substituent Isotopologues (2017) (18)
An Empirical Potential Energy Surface for Water Accounting for States with High Angular Momentum (1994) (17)
The climatic effects of water vapour (2003) (17)
Spectroscopy and dynamics of the highly excited nonrotating three‐dimensional H+3 molecular ion (1990) (17)
Ariel: Enabling planetary science across light-years (2021) (17)
A line list of allowed and forbidden rotational transition intensities for water (2008) (17)
Electron-impact rotational excitation of symmetric-top molecular ions (2002) (17)
High-accuracy calculations of the rotation-vibration spectrum of H 3 + (2017) (17)
Cavity ring-down spectroscopy of (H2O)-O-18 in the range 16 570-17 120 cm(-1) (2004) (17)
Absorption Spectrum of H218O in the Range 12 400–14 520 cm−1 (2002) (17)
Faraday research article. Why calculate the spectra of small molecules (1992) (17)
Calculated spectrum for near-dissociation H3+: a first attempt (1996) (17)
A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid. (2014) (17)
Reduced density matrix sampling: Self-consistent embedding and multiscale electronic structure on current generation quantum computers (2021) (17)
ATOMDIAT — A program for calculating variationally exact ro-vibrational levels of “floppy” triatomics (1984) (17)
Calculation of solar radiation atmospheric absorption with different H2O spectral line data banks (2009) (17)
R-matrix calculations of electron impact electronic excitation of BeH (2017) (17)
Quantemol Electron Collisions (QEC): An Enhanced Expert System for Performing Electron Molecule Collision Calculations Using the R-Matrix Method (2019) (17)
Exploring extrasolar worlds: from gas giants to terrestrial habitable planets. (2010) (17)
Emission Spectrum of Hot HDO in the 380–2190 cm−1 Region (2001) (17)
The effect of the impact of comet Shoemaker Levy‐9 on Jupiter's aurorae (1995) (17)
QED correction for H-3(+) (2014) (17)
The infrared spectrum of H^+_3 and its isotopomers (1986) (16)
LETTER TO THE EDITOR: Parent state swapping of resonances in electron - hydrogen molecule scattering (1997) (16)
Rotational excitation with pointwise vibrational wave functions (1993) (16)
ExoMol line lists – XXXII. The rovibronic spectrum of MgO (2019) (16)
Ab initio calculations to support accurate modelling of the rovibronic spectroscopy calculations of vanadium monoxide (VO) (2016) (16)
Variational calculations of vibrational energy levels for XY4 molecules 1. Stretching states (2002) (16)
Resonances in electron-impact electron detachment of C2-. (2008) (16)
Sympathetic cooling by collisions with ultracold rare gas atoms, and recent progress in optical Stark deceleration. (2009) (16)
Communication: Tunnelling splitting in the phosphine molecule. (2016) (16)
High Accuracy Rotation — Vibration Calculations on Small Molecules (2011) (16)
G PU A ccelerated IN tensities MPI (GAIN-MPI): A new method of computing Einstein-A coefficients (2017) (16)
Reply to Comment on: Discrepancies between variationally calculated vibrational energies of H3+ (1992) (16)
Molecules in space (2003) (16)
Cross Sections for Electron Collisions with NO, N2O, and NO2 (2019) (16)
Calculated rates for the electron impact dissociation of molecular hydrogen: mixed isotopomers and scaling laws (2002) (16)
ExoMol molecular line lists XXXVI: X 2Π – X 2Π and A 2Σ+ – X 2Π transitions of SH (2019) (16)
Properties of high-lying vibrational states of the molecular ion (2006) (16)
Exoplanet characterisation observatory (2012) (16)
Insights to scaling remote plasma sources sustained in NF3 mixtures (2017) (16)
Electronic transitions in the HeH molecule: a MQDT approach (1992) (16)
Benchmark calculations of electron impact electronic excitation of the hydrogen molecule (2020) (15)
Relative equilibria of D 2 H + and H 2 D + (2000) (15)
Low-energy electron collisions with the alanine molecule (2014) (15)
Communication: Visible line intensities of the triatomic hydrogen ion from experiment and theory. (2014) (15)
Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas (2018) (15)
The role of asymptotic vibrational states in (2006) (15)
An update to the MARVEL data set and ExoMol line list for 12C2 (2020) (15)
R-matrix calculations for polyatomic molecular ions: electron scattering by H3+ and H3O+ (2002) (15)
Molecular SCF calculations on the F centre of LiF (1980) (15)
ExoMol molecular line lists – XXVI: spectra of SH and NS (2018) (15)
ON THE ISOTROPIC AND LEADING ANISOTROPIC TERMS OF THE H-H2 POTENTIAL-ENERGY SURFACE (1981) (15)
The electronic bands of CrD, CrH, MgD and MgH: application to the ‘deuterium test’ (2007) (15)
Intracavity laser absorption spectroscopy of D(2)O between 11400 and 11900 cm(-1) (2007) (15)
The Effect of the Electron Donor H+3 on the Pre-Main-Sequence and Main-Sequence Evolution of Low-Mass, Zero-Metallicity Stars (2003) (15)
Coarse grained spectra, dynamics and quantum phase space structures of H+ 3 (1994) (15)
Transition intensities and fluorescence lifetimes for regular and chaotic states of LiCN (1986) (15)
Calculations of rotation-vibration states with the z axis perpendicular to the plane: High accuracy results for H 3 + (2002) (15)
Transition moments for excitation to Rydberg states of molecules using the R-matrix method: H2 with n<or=5 (1992) (15)
DVR1D: programs for mixed pointwise/basis set calculation of ro-vibrational spectra (1993) (15)
A global ab initio dipole moment surface for methyl chloride (2016) (15)
MARVEL analysis of the measured high-resolution spectra of14NH (2019) (15)
Water on the Sun: the Sun yields more secrets to spectroscopy (1998) (15)
R-matrix calculation of low-energy electron collisions with phosphoric acid (2010) (15)
A study of the variational convergence of the F centre energy levels of LiF (1981) (15)
R-matrix calculations of differential and integral cross sections for low-energy electron collisions with ethanol (2012) (15)
Diffusion in near‐integrable hamiltonian systems with three degrees of freedom (2008) (14)
Dissociative recombination and vibrational excitation of CO+: model calculations and comparison with experiment (2015) (14)
ExoMol line lists XXV: a hot line list for silicon sulphide, SiS (2018) (14)
Electron re-scattering from aligned linear molecules using the R-matrix method (2009) (14)
An experimental water line list at 1950 K in the 6250-6670 cm- 1 region (2017) (14)
Astronomical spectroscopy : an introduction to the atomic and molecular physics of astronomical spectra (2005) (14)
Elastic differential cross sections for the CFx (x = 1, 2, 3) radicals (2004) (14)
The ab initio calculation of the vibrational-rotational spectrum of triatomic systems in the close-coupling approach , with KeN and H 2 Ne as examples (2013) (14)
Phase factors in electron-molecule collision calculations (1997) (14)
Electron-impact rotational excitation of the carbon monosulphide (CS) molecule (2010) (14)
Potential energy curves of the lower states of CN (1979) (14)
Molecular physics of elementary processes relevant to hypersonics: Electron-molecule collisions (2014) (14)
R-matrix calculation of low-energy electron collisions with LiH (2004) (14)
Water in the Near IR spectrum of Comet 8P/Tuttle (2008) (14)
Calculated line lists for H216O and H218O with extensive comparisons to theoretical and experimental sources including the HITRAN2016 database (2020) (14)
Fluorescence studies of cytochrome b5 topography. Incorporation of cytochrome b5 into brominated phosphatidylcholine vesicles by deoxycholate. (1986) (14)
Variation in the H3+ Emission of Uranus (1997) (14)
Electron collisions with ClO using the R-matrix method (2000) (13)
ExoMol line lists – XXIX. The rotation-vibration spectrum of methyl chloride up to 1200 K (2018) (13)
The Need for Laboratory Measurements and Ab Initio Studies to Aid Understanding of Exoplanetary Atmospheres (2019) (13)
R -matrix calculation of differential cross sections for low-energy electron collisions with ground-state and electronically excited-state O 2 molecules (2006) (13)
Rotation-vibration calculations using massively parallel computers (1998) (13)
A wave packet method for treating nuclear dynamics on complex potentials (2006) (13)
Empirical Line Lists in the ExoMol Database (2020) (13)
Electron collisions with the BeH+ molecular ion in the R-matrix approach (2012) (13)
Predicted Landé g-factors for open shell diatomic molecules (2016) (13)
Coordinate ordering in the discrete variable representation (1993) (13)
Cavity ring-down spectroscopy of (H2O)-O-17 in the range 16570-17125 cm(-1) (2006) (13)
Theoretical resonant electron-impact vibrational excitation, dissociative recombination and dissociative excitation cross sections of ro-vibrationally excited BeH+ ion (2017) (13)
TWINKLE: a low earth orbit visible and infrared exoplanet spectroscopy observatory (2017) (13)
Stark coefficients for highly excited rovibrational states of H2O. (2012) (13)
Calculating the vibration–rotation spectrum of water (2005) (12)
Infrared absorption spectra of hot ammonia (2017) (12)
On the Meyer–Botschwina–Burton potential energy surface for H3+ (1993) (12)
Potential energy surface, dipole moment surface and the intensity calculations for the 10 µm, 5 µm and 3 µm bands of ozone (2018) (12)
R-matrix calculation of the continuum states of carbon monoxide (2007) (12)
Global plasma simulations using dynamically generated chemical models (2008) (12)
Water line parameters for weak lines in the range 7400 – 9600 cm 1 (2005) (12)
Ontology-Based Content Trust Support of Expert Information Resources in Quantitative Spectroscopy (2013) (12)
Calculated photoionization cross sections using Quantemol-N (2015) (12)
Feasibility Study for an Asymmetric $B$ Factory Based on {PEP} (1989) (12)
CN excitation and electron densities in diffuse molecular clouds (2013) (12)
Polarisation effects in low-energy positron-molecule scattering (2008) (12)
Analysis of a tritium enhanced water spectrum between 7200 and 7245 cm−1 using new variational calculations (2013) (12)
Dissociative recombination and vibrational excitation of BF+ in low energy electron collisions (2016) (12)
The ground-state H3 molecule (1982) (12)
Calculated low-energy electron-impact vibrational excitation cross sections for CO2 molecule (2016) (12)
Electron molecule collisions calculations using the R-matrix method (2003) (12)
Analysis of gaseous ammonia (NH3) absorption in the visible spectrum of Jupiter - Update (2018) (12)
Interaction of molecular nitrogen with free-electron-laser radiation. (2017) (11)
Low-energy collisions between electrons and BeD+ (2018) (11)
Low-energy collisions between electrons and BeH+: Cross sections and rate coefficients for all the vibrational states of the ion (2017) (11)
The EChO science case (2015) (11)
Ions in the Thermosphere of Exoplanets: Observable Constraints Revealed by Innovative Laboratory Experiments (2020) (11)
On the calculation of matrix elements between polynomial basis functions (1985) (11)
Note on ‘The impact of new water vapour spectral line parameters on the calculation of atmospheric absorption’ by Wenyi Zhong et al. (July A, 2001, 127, 1615–1626) (2002) (11)
Downstream etching of silicon nitride using continuous-wave and pulsed remote plasma sources sustained in Ar/NF3/O2 mixtures (2018) (11)
Cross Sections for Electron Collisions with NF3 (2017) (11)
Atomdiat2 and genpot: Adaptations of atomdiat for the ro-vibrational levels of any floppy triatomic using a general potential function (1984) (11)
Higher lying resonances in low-energy electron scattering with carbon monoxide* (2016) (11)
Direct Monte Carlo simulation of the sympathetic cooling of trapped molecules by ultracold argon atoms (2010) (11)
Cross Sections for Electron Collisions with H2O (2021) (11)
Calculated Vibrationally and Rotationally Resolved Photoelectron Spectra of H 2 (1988) (11)
Self- and air-broadening coefficients of HD16O spectral lines (2012) (11)
An improved rovibrational linelist of formaldehyde, H212C16O (2021) (10)
Electron-impact rotational excitation of : relevance for thermalization and dissociation dynamics (2006) (10)
A modified potential for HO2 with spectroscopic accuracy. (2009) (10)
Effects of the potential anisotropy on the calculated fine-structure spectrum of O2He (1984) (10)
Simulating electric field interactions with polar molecules using spectroscopic databases (2017) (10)
R-matrix calculation of the potential energy curves for Rydberg states of carbon monoxide (2006) (10)
Thirty years of H3+ astronomy (2020) (10)
Elastic scattering of low-energy electrons by CH3CN and CH3NC molecules (2015) (10)
The Dynamics of the Beam-Beam Interaction (2008) (10)
Electron collisions with the NO 2 radical using the R -matrix method (2009) (10)
A semi-empirical potential energy surface and line list for H216O extending into the near-ultraviolet (2020) (10)
An ab initio calculation of electron impact vibrational excitation of NO (1999) (10)
Spectroscopy of H3+ and its impact on astrophysics. (2001) (9)
Vibrational and rotational cooling of H 3 ¿ (2002) (9)
The United Kingdom Infrared Telescope Deep Impact observations: Light curve, ejecta expansion rates and water spectral features ☆ (2007) (9)
Spectroscopically determined potential energy surfaces of the H 2 16 O , H 2 17 O , and H 2 18 O isotopologues of water (2006) (9)
R-matrix study of electron impact excitation and dissociation of CH+ ions (2017) (9)
Rotational excitation of interstellar molecular ions by electrons (2009) (9)
Low-temperature chemistry using the R-matrix method. (2016) (9)
On the convergence of effective Hamiltonian expansions (1992) (9)
Status of the physics of substellar objects project (2005) (9)
R-matrix calculation of electron collisions with the BF+ molecular ion (2009) (9)
Spectroscopy of YO from first principles. (2019) (9)
Absorption spectra of ammonia near 1 μm (2017) (9)
Theoretical study of ArH+ dissociative recombination and electron-impact vibrational excitation (2018) (9)
Calculated cross sections for low energy electron collision with OH (2019) (9)
Effective computation of matrix elements between polynomial basis functions (2005) (9)
Highly Excited Vibrational States of the KCN Molecule (1992) (9)
Rotational levels of H2D : variational calculations and assignments (1993) (9)
High Accuracy ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System. (2017) (9)
The efficient calculation of electron impact ionization cross sections with effective core potentials. (2021) (9)
GPU Accelerated INtensities MPI (GAIN-MPI): A new method of computing Einstein-A coefficients (2017) (8)
Exoplanet Atmospheres: Physical Processes, by Sara Seager (2011) (8)
Higher-order relativistic corrections to the vibration–rotation levels of H2S (2002) (8)
H3 +: from first principles to Jupiter (1994) (8)
A variationally computed room temperature line list for AsH3. (2019) (8)
Line lists for H 2 18 O and H 2 17 O based on empirical line positions and ab initio intensities (2012) (8)
Study of the electronic and rovibronic structure of the X 2 Σ + , A 2 Π , and B 2 Σ + states of AlO (2014) (8)
A high-resolution line list for AlO (2021) (8)
Chaos in Molecular Systems (1987) (8)
Electron-impact excitation of diatomic hydride cations II: OH + and SH + (2018) (8)
A database for water transitions from experiment and theory (2006) (8)
Correction to “Calculation of the O–H Stretching Vibrational Overtone Spectrum of the Water Dimer” (2012) (8)
On the treatment of long-range interactions in global potential energy surfaces for chemically bound systems (2008) (8)
Analysis of the first overtone bands of isotopologues of CO and SiO in stellar spectra (2019) (8)
The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH2) (2020) (8)
“Recommended” cross sections for electron collisions with molecules (2020) (8)
Rovibrational spectrum of the excited potential energy surface of He+H2 (B 1Σu+) (1985) (8)
Vibrational excitation in low-energy electron scattering by H2 molecules physisorbed on a metal surface (1999) (8)
Water line intensities in the near-infrared and visible (2003) (8)
The use of supercomputers for the variational calculation of ro-vibrationally excited states of floppy molecules (1987) (8)
The status of spectroscopic data for the exoplanet characterisation missions (2014) (8)
An adiabatic model for calculating overtone spectra of dimers such as (H2O)2 (2012) (8)
The crowd & the cosmos: adventures in the Zooniverse (2020) (8)
TIMEDELn: A programme for the detection and parametrization of overlapping resonances using the time-delay method (2017) (8)
Analysis of the TiO isotopologues in stellar optical spectra (2020) (8)
ExoMol molecular line lists – XLII. Rovibronic molecular line list for the low-lying states of NO (2021) (7)
Calculated electron impact dissociation cross sections for molecular chlorine (Cl2) (2018) (7)
Cooling by H 3 + Emission (2013) (7)
Analysis of the red and green optical absorption spectrum of gas phase ammonia (2018) (7)
Preface to the HITRAN 2012 special issue (2013) (7)
Ab initio spectroscopy of D2H+ near dissociation (2006) (7)
Shift of the centers of H2O absorption lines in the region of 1.06 μm (2008) (7)
Variation in the H[FORMULA][F][SUP]+[/SUP][INF]3[/INF][/F][/FORMULA] Emission of Uranus (1997) (7)
First-principles calculations on the astrochemistry and spectroscopy of H+3 (1993) (7)
Infrared spectroscopic studies of the jovian ionsophere and aurorae (2000) (7)
Ro-vibronic transition intensities for triatomic molecules from the exact kinetic energy operator; electronic spectrum for the C̃ 1B2 ← X̃ 1A1 transition in SO2. (2017) (7)
Electron re-scattering from H2 and CO2 using R-matrix techniques (2007) (7)
A spectroscopic model for the low-lying electronic states of NO. (2021) (7)
ExoMol line lists – XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2) (2020) (7)
Use of the complete basis set limit for computing highly accurate ab initio dipole moments. (2020) (6)
The Impact of New Water Vapor Spectroscopy on Satellite Retrievals (2003) (6)
HINDERED INTERNAL ROTATIONS IN VANDERWAALS MOLECULES AND MOLECULAR-CRYSTALS (1983) (6)
The magnetic precursor of L1448-mm: excitation differences between ion and neutral fluids (2010) (6)
Computed Knowledge Base for Description of Information Resources of Water Spectroscopy (2010) (6)
Fractionation effects in muonium--molecular hydrogen reactions (1989) (6)
The role of asymptotic vibrational states in H3+. (2006) (6)
An integrated payload design for the Exoplanet Characterisation Observatory (EChO) (2012) (6)
Spectroscopy of H + 3 based on a new high-accuracy global potential energy surface (2012) (6)
Fourier transform absorption spectra of (H2O)-O-18 and (H2O)-O-17 in the 3v plus delta and 4v polyad region (2005) (6)
Calculated electron impact spin-coupled rotational cross-sections for 2S + 1Σ+ linear molecules: CN as an example (2012) (6)
ExoMol line list – XXXIV. A rovibrational line list for phosphinidene (PH) in its $X\, {}^3\Sigma ^-$ and $a\, {}^1\Delta$ electronic states (2019) (6)
Angle-Resolved Electron Scattering from H_{2}O near 0°. (2019) (6)
Low temperature scattering with the R-matrix method: argon-argon scattering (2019) (6)
2022 Review of Data-Driven Plasma Science (2022) (6)
Molecular line shape parameters for exoplanetary atmospheric applications (2017) (6)
Calculated ro-vibrational spectrum of 7Li+3 and 7Li2 6Li+ (1988) (6)
WATERWAVES: wave particles dynamics on a complex triatomic potential (2006) (5)
Low-energy electron impact dissociative recombination and vibrational transitions of N2+ (2021) (5)
We review the role of H3 + in planetary atmospheres, with a particular emphasis on its effect in cooling and stabilising, an effect that has been termed the ''H3 + (2010) (5)
Measurement of H2O and OH in a flame by optical frequency comb spectroscopy (2016) (5)
A parallel algorithm for Hamiltonian matrix construction in electron-molecule collision calculations: MPI-SCATCI (2017) (5)
Advances and challenges in electron–molecule scattering physics—A Report of the 14th International Symposium on Electron–Molecule Collisions and Swarms (2006) (5)
On the determination of potential energy surfaces of spectroscopic accuracy (1995) (5)
Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres (2022) (5)
Continuum states of CO (2004) (5)
A non-adiabatic calculation of NO Rydberg states above several ionisation thresholds (1998) (5)
Electron collisions with BF+: bound and continuum states of BF (2011) (5)
Weak line water vapor spectrum in the 13 200–15 000 cm−1 region (2002) (5)
R-matrix calculation of bound and resonant states of BeH (2015) (5)
High-resolution absorption measurements of NH3 at high temperatures: 2100 - 5500 (2016) (5)
A new spectroscopically-determined potential energy surface and ab initio dipole moment surface for high accuracy HCN intensity calculations (2018) (5)
An ab initio study of the rovibronic spectrum of sulphur monoxide (SO): diabatic vs. adiabatic representation (2022) (5)
The H 2 structure of OMC{1 ? (1997) (5)
Highly excited rovibrational states of small molecules (1989) (5)
Empirical normal intensity distribution for overtone vibrational spectra of triatomic molecules (2020) (5)
Understanding Floppy Molecules (1987) (5)
The infrared spectrum of PF3 and analysis of rotational energy clustering effect (2019) (5)
General mathematical formulation of scattering processes in atom–diatomic collisions in the RmatReact methodology (2019) (5)
High accuracy potentials for quantum dynamics (2003) (5)
Dissociative electron attachment cross sections for ro-vibrationally excited NO molecule and N − anion formation (2020) (5)
Computation of Frequencies and Linestrengths for Triatomic Molecules of Astronomical Interest (1994) (5)
MARVEL Analysis of the Measured High-resolution Rovibronic Spectra of the Calcium Monohydroxide Radical (CaOH) (2020) (5)
Radiative cooling of H3O+ and its deuterated isotopologues† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04661d Click here for additional data file. (2016) (5)
Electron Scattering Cross Sections for Anthracene and Pyrene. (2020) (5)
Molecular Quantum States at Dissociation (1998) (5)
Calculating molecular spectra (1992) (5)
ExoMol line lists – XL. Rovibrational molecular line list for the hydronium ion (H3O+) (2020) (5)
MAX-DOAS measurements of HONO slant column densities during the MAD-CAT Campaign: inter-comparison and sensitivity studies on spectral analysis settings (2017) (5)
H3+: from chaos to the cosmos (1995) (4)
Fourier transform absorption spectra of H 2 18 O and H 2 17 O in the 3 m + d and 4 m polyad region (2005) (4)
Rate Coefficients for Dissociative Attachment and Resonant Electron-impact Dissociation Involving Vibrationally Excited O 2 Molecules (2014) (4)
ExoMol line lists -- XLIV. IR and UV line list for silicon monoxide (SiO) (2021) (4)
Astronomical Spectroscopy (2019) (4)
The calculation of molecular spectra using finite-element methods (1994) (4)
Water in the gas phase (2012) (4)
The VoTe Room Temperature H216O Line List up to 25 000 cm–1 (2018) (4)
Averaged electron collision cross sections for thermal mixtures of α -alanine conformers in the gas phase (2016) (4)
WHY CALCULATE THE SPECTRA OF SMALL MOLECULES (1992) (4)
A method for calculating temperature-dependent photodissociation cross sections and rates (2021) (4)
Targeted Cross-Section Calculations for Plasma Simulations (2021) (4)
Electric quadrupole transitions in carbon dioxide. (2021) (4)
R-matrix with Pseudo-States (RMPS) method: application to CH+ resonances curves (2011) (4)
A potential new method for determining the temperature of cool stars (2008) (4)
Low energy inelastic electron scattering from carbon monoxide: I. Excitation of the a3Π, a′3Σ+ and A1Π electronic states (2020) (4)
Large-eddy simulation of compressible turbulent flow in convergent-divergent nozzles with isothermal wall (2019) (4)
Cross-sections for heavy atmospheres: H2O continuum (2021) (4)
Low energy electron collisions with molecular hydrogen (2002) (4)
Continuum states of (1998) (4)
Rotational Spectrum of SO_3 and Theoretical Evidence for the Formation of Rotational Energy Level Clusters in its Vibrational Ground State (2014) (4)
Bands of H3+ up to 4nu2: ro-vibrational transitions from first principles (1992) (3)
Resonant states of H 3 and D 2 H (2008) (3)
Measurement of Water Absorption Cross-Sections for the Exploitation of GOME Data - Executive Summary of Final Report (2000) (3)
Characterizing exoplanets (2014) (3)
Current State of Astrophysical Opacities: A White Paper (2018) (3)
“Virtual Atomic and Molecular Data Centre” and Astrophysics : Level 2 Release (2012) (3)
Line lists for (H2O)-O-18 and (H2O)-O-17 based on empirical line positions and ab initio intensities (2012) (3)
Electron collisions with molecular hydrogen from electronically excited states using the R-matrix method (2020) (3)
The Calculation of Ro-Vibrational Spectra Using Supercomputers (1989) (3)
Using SPICA Space Telescope to characterize Exoplanets (2008) (3)
Towards a model for the dissociative recombination of the CO2+ dication: states and couplings (2005) (3)
Cross Sections and Rate Coefficients for Vibrational Excitation of H2O by Electron Impact (2021) (3)
Imaging Jupiter's aurorae from H3+ emissions in the 3-4 micrometers band. (1991) (3)
Spectra of Hot Molecules of Astrophysical Importance: an Update on the ExoMol Project (2013) (3)
Author Correction: Water vapour in the atmosphere of the habitable-zone eight-Earth-mass planet K2-18 b (2019) (3)
Synthesis of ab initio and effective Hamiltonian line lists for ozone (2021) (3)
Spectroscopy of H3+: planets, chaos and the Universe (1995) (3)
Calculated electron impact ionisation fragmentation patterns (2021) (3)
Low-Temperature Scattering with the R-Matrix Method: The Morse Potential (2018) (3)
Electron Interaction Cross Sections for CF3I, C2F4, and CFx (x = 1—3) Radicals (2006) (3)
PEAD — for the calculation of photoelectron angular distributions of linear molecules (1987) (3)
Electron collisions with molecular nitrogen in its ground and electronically excited states using the R-matrix method (2021) (3)
The update of the line positions and intensities in the line list of carbon dioxide for the HITRAN2020 spectroscopic database (2021) (3)
R-matrix study for electron scattering of beryllium dihydride for fusion plasma (2019) (3)
Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states (2022) (3)
Near-threshold electron impact dissociation of H2 (1998) (3)
Hydrogen molecular ions: H3+, H5+ and beyond (2019) (3)
Beam-Beam Diagnostics from Closed-Orbit Distortion (1992) (3)
A Method for the Variational Calculation of Hyperfine-Resolved Rovibronic Spectra of Diatomic Molecules (2022) (3)
Closed Orbit Distortion and the Beam-Beam Interaction ⁄ (1992) (3)
Flip-Flop Modes in Symmetric and Asymmetric Colliding-Beam Storage Rings (1989) (3)
Zero point energy of H + and its deuterated isotopomers (2003) (3)
BANDS OF H-3(+) UP TO 4-NU-2 - ROVIBRATIONAL TRANSITIONS FROM 1ST PRINCIPLES CALCULATIONS (1992) (3)
Low-energy electron collisions with water: elastic and rotationally inelastic scattering (2004) (3)
Rotational Cooling of HD+ by Superelastic Collisions with Electrons (2011) (3)
Reduced chemistries with the Quantemol database (QDB) (2019) (3)
Electron collisions with CO molecule: potential energy curves of higher lying CO− resonant states (2020) (3)
Computat ion of Frequencies and Linestrengths for Triatomic Molecules of Astronomical Interest (2005) (3)
Overtone spectroscopy of H[sub 2]D[sup +] and D[sub 2]H[sup +] using laser induced reactions (2007) (3)
Vibrationally resolved NO dissociative excitation cross sections by electron impact (2020) (3)
Near-threshold electron impact dissociation of H2 within the adiabatic nuclei approximation (1998) (2)
Relaxation to the steady state in neutral‐beam‐injected mirrors (1986) (2)
ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH) (2022) (2)
A non-empirical appraisal of the angular-overlap model for transition-metal complexes (1980) (2)
ExoMol line lists – XLVI: Empirical rovibronic spectra of silicon mononitrate (SiN) covering the 6 lowest electronic states and 4 isotopologues (2022) (2)
QED CORRECTION FOR H3 (2014) (2)
OBSERVATION OF THE 3-NU-2 [-0 OVERTONE BAND OF H-3+ (1991) (2)
Resonant states of H-3(+) and D2H+ (2008) (2)
Bound and continuum states of molecular anions C 2 H − and C 3 N − (2018) (2)
Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH). (2021) (2)
Cross-sections for heavy atmospheres: H$_2$O self-broadening (2022) (2)
PoSSO - Physics of substellar objects (2005) (2)
Fundamentals: general discussion. (2016) (2)
Effect of Cold Jet Plume on Aerodynamics Coefficients (2015) (2)
Highly excited ro-vibrational states of triatomic molecules (1990) (2)
Ab Initio Calculations of Vibrationally Resolved Resonances in Electron Collisions with H 2 , HD , and D 2 (1997) (2)
Discretization to Avoid Singularities in Vibration-Rotation Hamiltonians : A Bisector Embedding for AB 2 Triatomics (2004) (2)
Effective potential energy surface of HD16O for calculation of highly excited states of nν3 and ν1 + nν3 types (2015) (2)
molecular line lists - XIV. The rotation-vibration spectrum of hot SO2 (2018) (2)
Beam-beam stability in the SSC. A preliminary report (1988) (2)
QUANTUM TRANSPORT, RECURRENCE AND LOCALIZATION IN H3+ (1996) (2)
Averaged electron collision cross sections for thermal mixtures of β-alanine conformers in the gas phase (2017) (2)
Computational treatment of electron and photon collisions with atoms, ions, and molecules: the legacy of Philip G Burke (2020) (2)
Mathematical and computational methods in R-matrix theory (2007) (2)
ExoMol line lists XXIV : SiH 1 ExoMol line lists XXIV : A new hot line list for silicon monohydride , (2017) (2)
ExoMol line lists – XLI. High-temperature molecular line lists for the alkali metal hydroxides KOH and NaOH (2021) (2)
The construction and fitting of molecular potential energy surfaces and their use in vibration‐rotation calculations (1986) (2)
Theoretical study of the low-energy electron-collision cross sections of isomers HOOCl, HOClO and HClOO in gas phase (2019) (2)
The partitioned R-matrix method (2007) (2)
High Accuracy Molecular Line Lists for Studies of Exoplanets and Other Hot Atmospheres (2022) (2)
The R-matrix Calculations of Orientation and Coulomb Phase Effects in Electron–Molecule (Re-)Collisions (2011) (2)
Spectroscopy of H 3 + in the Jovian Atmosphere (1991) (2)
COMMISSION 14: ATOMIC AND MOLECULAR DATA (2011) (2)
Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway (2020) (2)
A Science Gateway for Atomic and Molecular Physics (2020) (2)
Plasma polymerization of cyclopropylamine in a low-pressure cylindrical magnetron reactor: A PIC-MC study of the roles of ions and radicals (2020) (2)
Room temperature line lists for CO2 isotopologues with AB initio computed intensities (2016) (1)
Estimate of the J 0 J 00 dependence of water vapor line broadening parameters (2010) (1)
Electron scattering studies of BF and BF2 (2020) (1)
Previously Unobserved Water Lines Detected in the Post-Impact Spectrum (2006) (1)
Time Evolution of Jupiter's Global Thermosphere and Ionosphere (1996) (1)
Author ' s personal copy Calculation of solar radiation atmospheric absorption with different H 2 O spectral line data banks (2009) (1)
WATER INTENSITIES: AB INITIO VS. EXPERIMENT (2013) (1)
Identification of features in the 3 to 4 micron spectrum of Supernova 1987a (1992) (1)
The Importance of Accurate Atomic and Molecular Line-lists for Characterizing Exoplanetary Atmospheres (2013) (1)
The IUPAC Database of Rotational-Vibrational Energy Levels and Transitions of Water Isotopologues from Experiment and Theory (2014) (1)
The status of spectroscopic data for the exoplanet characterisation missions (2014) (1)
ANALYSIS OF A 3-STATE MODEL FOR THE NON-ADIABATIC PROCESSES ACCOMPANYING THE INTERNAL-ROTATION OF ETHYLENE (1981) (1)
ExoMol at 10 (2021) (1)
Electron–molecular cation reactive collisions: from channel mixing to competitive processes (2011) (1)
UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method (2021) (1)
THE SOLUTION OF THE BOUND-STATE NUCLEAR MOTION PROBLEM FOR POLYATOMIC CLUSTERS (1990) (1)
Resonances in Electron Collisions with Small Biomolecules Using the R-Matrix Method (2012) (1)
Fine and hyperfine resolved empirical energy levels of VO (2022) (1)
Carbon monoxide in low-mass dwarf stars 107 (2005) (1)
Ab initio spectroscopy of D 2 H Q near dissociation (2006) (1)
Rovibronic spectroscopy of PN from first principles (2021) (1)
A (HCN)-C-13/(HNC)-C-13 linelist, model atmospheres and synthetic spectra for carbon stars (2008) (1)
Why SF6 eats electrons: identifying high electrical strength molecules from their electron collision properties (2020) (1)
Post-SL9 impact brightness imbalance in the Jovian aurorae. (1995) (1)
Electron Collision Processes (2019) (1)
Author ' s personal copy MARVEL : measured active rotational – vibrational energy levels (2007) (1)
Sub-percent accuracy for the intensity of a near-infrared water line at 10,670 cm−1: experiment and analysis (2022) (1)
Discovery of a very cool brown dwarf amongst the ten nearest stars to the Solar System (2010) (1)
RAS techniques and instruments (2022) (1)
An Unusual Change in the Jovian Ly-α Bulge (1991) (1)
New measurements of water vapour spectral line parameters and their impact on atmospheric absorption (8600-15000 cm(-1)). (2001) (1)
The H-2 structure of OMC-1 (vol 318, pg 608, 1997) (1997) (1)
John Norman Murrell. 2 March 1932 — 25 January 2016 (2017) (1)
Recent Advances in Calculating Molecular Collision Rates (2006) (1)
H-3(+) IN SPACE (1992) (1)
MARVEL analysis of high-resolution spectra of thioformaldehyde (H<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e2721" altimg="si105.svg"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>CS) (2022) (1)
ASSIGNMENT OF INFRARED AMMONIA SPECTRA (2011) (1)
A global line list for HDO between 0 and 35000 cm−1 constructed using multiphoton spectra (2021) (1)
CONTINUUM STATES OF HEH (1998) (1)
Ab initio vibration–rotation spectra of triterated isotopologues of H3+ (2008) (1)
A sustainable path for space science (2020) (1)
Current Status and Future Perspectives of Electron Interactions with Molecules , Clusters , Surfaces , and Interfaces (2000) (1)
Study of the electronic and rovibronic structure of the X (2)Sigma(+), A (2)Pi, and B (2)Sigma(+) states of AlO (2014) (1)
Resonant vibrational-excitation electron-O 2 cross sections and rate constants (2013) (1)
State of the Profession Considerations for Laboratory Astrophysics (2019) (1)
Probing water vapor and CO in the atmosphere of HD 209458b (2007) (1)
The Effect of the SL9 Impact on Jupiter's Aurorae (1994) (1)
An ab initio HCN and HNC rotational vibrationallinelist for astronomy (2003) (1)
AlH lines in the blue spectrum of Proxima Centauri (2022) (1)
SYMMETRIES AND PROPERTIES OF NON-RIGID MOLECULES - A COMPREHENSIVE SURVEY - MARUANI,J, SERRE,J (1984) (1)
A variational model for the hyperfine resolved spectrum of VO in its ground electronic state. (2022) (1)
Calculations of cross sections data for scattering of electrons on BF3 (2009) (1)
The Calculation of RO-Vibrational Molecular Spectra From First Principles (1991) (1)
A population study of hot Jupiter atmospheres (2017) (1)
Low-Energy Electron Scattering from c-C4F8 (2022) (1)
Computed bound and continuum electronic states of the nitrogen molecule (2015) (1)
Analysis of the accuracy of calculations using Duo and Level diatomic nuclear motion programs (2022) (1)
W@DIS: Water spectroscopy with a Distributed Information System (2008) (1)
ExoMol photodissociation cross sections I: HCl and HF (2022) (1)
VizieR Online Data Catalog: CH4 and hot methane continuum hybrid line list (Yurchenko+, 2017) (2017) (1)
Quantum mechanics gets real (2003) (1)
Hot bands of water in the nu(2) manifold up to 5 nu(2)-4 nu(2) (1997) (1)
Electron Scattering Cross-Section Calculations for Atomic and Molecular Iodine (2021) (1)
Fast species ranking for iterative species-oriented skeletal reduction of chemistry sets (2021) (1)
GPU ACCELERATED INTENSITIES: A NEW METHOD OF COMPUTING EINSTEIN-A COEFFICIENTS (2015) (1)
Analysis of measured high-resolution doublet rovibronic spectra and related line lists of 12CH and 16OH (2022) (1)
A Ro-Vibrational Study of Regular/Irregular Behaviour of the CO-Ar System (1988) (1)
The calculation of highly excited ro-vibrational states of small molecules (1992) (1)
VAMDC : The Virtual Atomic and Molecular Data Centre: a Service Orientated Data Infrastructure for e- Research (2010) (1)
R-band light curve of Comet 9P/Tempel 1 during the Deep Impact event (2010) (1)
The 2021 release of the Quantemol database (QDB) of plasma chemistries and reactions (2022) (1)
ExoMol line list – XXXIV . A rovibrational line list for phosphinidene ( PH ) in its X 3 − and a 1 electronic states (2019) (1)
Electronic excitation in electron molecule scattering using the R-matrix method (2008) (1)
Inverse-covariance matrix of linear operators for quantum spectrum scanning (2007) (1)
Low-temperature scattering with the R-matrix method: from nuclear scattering to atom-atom scattering and beyond (2019) (1)
VizieR Online Data Catalog: High accuracy computed water line list - BT2 (Barber+, 2006) (2006) (1)
Spectral energy distribution for GJ 406 (2005) (1)
Electronic Spectra of Diatomic Molecules (2019) (1)
Electron Collisions with CO Molecule: An R-Matrix Study Using a Large Basis Set (2019) (1)
high-accuracy global potential energy surface based on a new + 3 Spectroscopy of H (2012) (1)
Line parameter validation using ground-based solar occultation measurements: Water vapor—A case study (2007) (1)
JIM: a global thermospheric model for Jupiter (1998) (1)
The instability threshold for bunched beams in ISABELLE (2008) (1)
ENHANCEMENT OF CLASSICAL TRANSPORT PROCESSES ALONG RESONANCES IN NEAR INTEGRABLE SYSTEMS WITH MANY DEGREES OF FREEDOM by (2015) (1)
Synchrobetatron sideband overlap in electron-positron colliding beams (1987) (1)
Hamburger Heaven: The Illustrated History of the Hamburger (1993) (1)
The absorption spectrum of short-lived isotopic variant of water, H215O: Tentative detection at the Earth's atmosphere (2021) (1)
Water in HD 209458b’s atmosphere from 3.6 − 8 µ m IRAC photometric observations in primary transit (2013) (1)
Electron collisions with ClO using the R-matrix method (2000) (1)
Continuum and bound states of the e--CH+ system using the R-matrix method (1988) (1)
R-matrix calculations of vibrationally resolved positron-N2 scattering cross sections (1991) (1)
OBSERVATION OF THE $3\nu_{2}\leftarrow 0$ OVERTONE BAND OF $H_{3}^{+}$ (1991) (0)
Transit Spectroscopy: new data analysis techniques and interpretation (2014) (0)
DISCREPANCIES BETWEEN VARIATIONALLY CALCULATED VIBRATIONAL ENERGIES OF H-3+ (1992) (0)
Overtone Bands of H 3 f : First Principle Calculations (2003) (0)
Updates to the Virtual Atomic and Molecular Data Centre (2014) (0)
Simulations of SF6 plasma etching in the GEC Reference Cell (2011) (0)
R-matrix calculations of electron molecule collision data (2016) (0)
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EChO (2012) (0)
Physics in action (2003) (0)
MARVEL Analysis of BaO: Generation of magnetic field lande g-factors (2018) (0)
Time-delay matrix analysis of resonances in electron scattering: - and (1996) (0)
An ab initio calculation of electron impact vibrational excitation of NO+ (1999) (0)
Low-energy electron impact excitation of the nitrogen molecule: optically forbidden transitions (1996) (0)
Dissociative recombination of NO+: calculations and comparison with experiment (2000) (0)
Parent state swapping of resonances in electron - hydrogen molecule scattering (1997) (0)
Partitioned R-matrix theory for molecules (2004) (0)
A new algorithm for Hamiltonian matrix construction in electron - molecule collision calculations (1996) (0)
R-matrix calculation of low-energy electron collisions with LiH (2004) (0)
Continuum states of (1998) (0)
Modelling the spectroscopic behaviour of hot molecules (2010) (0)
Electron-impact rotational excitation of symmetric-top molecular ions (2002) (0)
Elastic differential cross sections for the CFx (x = 1, 2, 3) radicals (2004) (0)
Differential cross sections for elastic positron-H2 collisions using the R-matrix method (1990) (0)
Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium (2002) (0)
R-matrix calculation of Rydberg states of CO (1996) (0)
Electron collisions with Cl2O using the R-matrix method (2001) (0)
Electron collisions with OClO using the R-matrix method (2001) (0)
Electron- scattering resonances as a function of bond length (1998) (0)
Electron impact dissociative excitation of water within the adiabatic nuclei approximation (2002) (0)
Electron collisions with the CF2 radical using the R-matrix method (2002) (0)
On the calculation of electron-impact rotational excitation cross sections for molecular ions (1998) (0)
Electronic correlation effects of the target in excitation cross sections by electron impact in H (2017) (0)
R-Matrix Calculations of Inelastic Electron Scattering by Diatomic Molecules (1994) (0)
An empirical spectroscopic model for eleven electronic states of VO (2022) (0)
The spectrum of ammonia near 0.793 μm (2021) (0)
MOLECULAR LINE LISTS FOR SCANDIUM AND TITANIUM HYDRIDE USING THE DUO PROGRAM (2015) (0)
The Nature of Spectra (2005) (0)
Subpromille Measurements and Calculations of CO (3-0) Overtone Line Intensities. (2022) (0)
ExoMol: Large-scale production of line lists for molecules important for modelling of planetary atmospheres (2013) (0)
ExoMol line lists – XLVIII. High-temperature line list of thioformaldehyde (H2CS) (2023) (0)
The spectrum of sodium hydride (2015) (0)
Efficient diagonalization of the sparse matrices produced within the framework of the UK R-matrix molecular codes (2012) (0)
The high-temperature spectrum of VO (2016) (0)
VizieR Online Data Catalog: ExoMol line lists for CH4 (Yurchenko+, 2014) (2014) (0)
Using the BT2 water line list to interpret cometary spectra in the near IR (2007) (0)
AB INITIO AND EMPIRICAL STUDIES OF ELECTRONICALLY EXCITED STATES OF PHOSPHOROUS MONONITRIDE (PN) AND ITS ROVIBRONIC SPECTROSCOPY (2021) (0)
ExoMol line lists – XLVII. Rovibronic spectrum of aluminium monochloride (AlCl) (2022) (0)
On the effect of additional CF2 scattering data on a CF4/O2 plasma etch simulation (2008) (0)
Spectra in Magnetic Fields (2019) (0)
Modeling the chemistries of technical molecular plasmas (2008) (0)
Electron collisions with ArH+ molecular ions: highly excited vibrational states and dissociative excitation (2022) (0)
The molecular opacity problem for models of cool stars and brown dwarfs (2007) (0)
X-RAY SPECTRA (2005) (0)
ASTRONOMY AND ASTROPHYSICS The H 2 structure of OMC – 1 ? (1996) (0)
High-Accuracy CO and CO₂ Line Intensities from Ab Initio Calculations and Measurements (2014) (0)
Linking reactor-scale plasma modelling with feature-scale profile simulation (2015) (0)
Hot temperatures line lists for metal hydrides (2013) (0)
VizieR Online Data Catalog: ExoMol line lists for BeH, MgH and CaH (Yadin+, 2012) (2012) (0)

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