All Stories

  1. Predissociation dynamics of the hydroxyl radical (OH) based on a five-state spectroscopic model
  2. Measurement and calculation of CO (7–0) overtone line intensities
  3. Elastic and inelastic low-energy electron scattering from pyridine
  4. A variational model for the hyperfine resolved spectrum of VO in its ground electronic state
  5. Highly accurate HF dimer ab initio potential energy surface
  6. Theoretical rovibronic spectroscopy of the calcium monohydroxide radical (CaOH)
  7. The efficient calculation of electron impact ionization cross sections with effective core potentials
  8. A spectroscopic model for the low-lying electronic states of NO
  9. Atomic and Molecular Scattering Applications in an Apache Airavata Science Gateway
  10. A brief history of astronomy and astrophysics
  11. Low temperature scattering with the R-matrix method: argon-argon scattering
  12. The infrared spectrum of PF3 and analysis of rotational energy clustering effect
  13. A global potential energy surface for H3+
  14. The ExoMol project: Software for computing large molecular line lists
  15. R-matrix calculations of low-energy electron collisions with methane
  16. High temperature partition functions and thermodynamic data for ammonia and phosphine
  17. IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part IV. Energy levels and transition wavenumbers for D216O, D217O, and D218O
  18. Vibration–rotation transition dipoles from first principles
  19. Strong Phylogeographic Structure in a Sedentary Seabird, the Stewart Island Shag (Leucocarbo chalconotus)
  20. QED correction forH3+
  21. Low-energy electron collisions with the alanine molecule
  22. A database of water transitions from experiment and theory (IUPAC Technical Report)
  23. Temperature-dependent molecular absorption cross sections for exoplanets and other atmospheres
  24. Terahertz spectroscopy of hydrogen sulfide
  25. Preface to the HITRAN 2012 special issue
  26. A new relational database structure and online interface for the HITRAN database
  27. Re-analysis of ammonia spectra: Updating the HITRAN 14NH3 database
  28. Vibrationally and rotationally nonadiabatic calculations on H 3 + using coordinate-dependent vibrational and rotational masses
  29. Vibrational transition moments of CH4 from first principles
  30. Cooling by H3+ Emission
  31. Analysis of a tritium enhanced water spectrum between 7200 and 7245 cm−1 using new variational calculations
  32. Anab initiostudy of singlet and triplet Rydberg states of N2
  33. A computed room temperature line list for phosphine
  34. Variational Calculation of Highly Excited Rovibrational Energy Levels of H2O2
  35. Accurate bond dissociation energy of water determined by triple-resonance vibrational spectroscopy and ab initio calculations
  36. Calculation of Rotation–Vibration Energy Levels of the Water Molecule with Near-Experimental Accuracy Based on an ab Initio Potential Energy Surface
  37. IUPAC critical evaluation of the rotational–vibrational spectra of water vapor, Part III: Energy levels and transition wavenumbers for H216O
  38. An ab initio variationally computed room-temperature line list for 32S16O3
  39. Data structures for ExoMol: Molecular line lists for exoplanet and other atmospheres
  40. Ontology-Based Content Trust Support of Expert Information Resources in Quantitative Spectroscopy
  41. Analysis of an 18O and D enhanced water spectrum and new assignments for HD18O and D218O in the near-infrared region (6000–7000cm−1) using newly calculated variational line lists
  42. CH+Energy Curves and Resonances using R-matrix with pseudo-states
  43. A dissociative electron attachment cross-section estimator
  44. Electron collsions with the interstellar molecular radicals CN, C3N & C2H using the R-Matrix method
  45. Calculated electron impact spin-coupled rotational cross-sections for2S+ 1Σ+linear molecules: CN as an example
  46. R-matrix study of elastic and inelastic electron collisions with cytosine and thymine
  47. ExoMol: molecular line lists for exoplanet and other atmospheres
  48. ExoMol line lists - I. The rovibrational spectrum of BeH, MgH and CaH in the X 2 Σ + state
  49. Line lists for H218O and H217O based on empirical line positions and ab initio intensities
  50. DEATH OF CHARLES (TENNYSON) TURNER. “THE FALCON.” VENICE. 1879–80
  51. Calibration-quality adiabatic potential energy surfaces for ${\rm H}_3^+$H3+ and its isotopologues
  52. Global spectroscopy of the water monomer
  53. An adiabatic model for calculating overtone spectra of dimers such as (H2O)2
  54. Water in the gas phase
  55. Electron collisions with the CN radical: bound states and resonances
  56. Low-energy electron scattering with the purine bases of DNA/RNA using the R-matrix method
  57. Precision Measurements and Computations of Transition Energies in Rotationally Cold Triatomic Hydrogen Ions up to the Midvisible Spectral Range
  58. Correction to “Calculation of the O–H Stretching Vibrational Overtone Spectrum of the Water Dimer”
  59. COMMISSION 14: ATOMIC AND MOLECULAR DATA
  60. Resonances in Electron Collisions with Small Biomolecules Using the R-Matrix Method
  61. Exoplanet Atmospheres: Physical Processes, by Sara Seager
  62. Accurate variational calculations for line lists to model the vibration–rotation spectra of hot astrophysical atmospheres
  63. High Accuracy Rotation — Vibration Calculations on Small Molecules
  64. Positron collisions with acetylene calculated using theR-matrix with pseudo-states method
  65. Simulations of SF6 plasma etching in the GEC Reference Cell
  66. A global, high accuracy ab initio dipole moment surface for the electronic ground state of the water molecule
  67. R-matrix with Pseudo-States (RMPS) method: application to CH+resonances curves
  68. Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study
  69. First-principles rotation–vibration spectrum of water above dissociation
  70. Electron collisions with BF+: bound and continuum states of BF
  71. Bound and continuum states of molecular anions C2H−and C3N−
  72. Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
  73. Astronomical Spectroscopy
  74. The R-matrix Calculations of Orientation and Coulomb Phase Effects in Electron–Molecule (Re-)Collisions
  75. R-matrix calculation of low-energy electron collisions with phosphoric acid
  76. Preface to the HighRus special issue of JQSRT
  77. Estimate of the J′J″ dependence of water vapor line broadening parameters
  78. IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part II
  79. The discovery of a very cool, very nearby brown dwarf in the Galactic plane
  80. Ro-vibrational spectra of C2H2based on variational nuclear motion calculations
  81. Theoretical methods for small-molecule ro-vibrational spectroscopy
  82. Electron–molecule collision calculations using the R-matrix method
  83. First-principles prediction and partial characterization of the vibrational states of water up to dissociation
  84. Water dimer vibration–rotation tunnelling levels from vibrationally averaged monomer wavefunctions
  85. COMMISSION 14: ATOMIC AND MOLECULAR DATA
  86. Electron-impact rotational excitation of the carbon monosulphide (CS) molecule
  87. Calculation of rate constants for vibrational and rotational excitation of the H + 3 ion by electron impact
  88. A computed line list for the H2D+ molecular ion
  89. R-band light curve of Comet 9P/Tempel 1 during the Deep Impact event
  90. On the use of pseudostates to calculate molecular polarizabilities
  91. H3+ cooling in planetary atmospheres
  92. Exploring extrasolar worlds: from gas giants to terrestrial habitable planets
  93. State-selective spectroscopy of water up to its first dissociation limit
  94. Is there anybody out there?
  95. A Variationally Computed T = 300 K Line List for NH3
  96. Electron and positron collisions with polar molecules: studies with the benchmark water molecule
  97. IUPAC critical evaluation of the rotational–vibrational spectra of water vapor. Part I—Energy levels and transition wavenumbers for H217O and H218O
  98. R-matrix calculation of electron collisions with the BF+molecular ion
  99. R -matrix calculation of low-energy electron collisions with uracil
  100. Electron collision with the silicon monoxide (SiO) molecule using theR-matrix method
  101. A modified potential for HO2 with spectroscopic accuracy
  102. Electron collisions with the NO 2 radical using the R -matrix method
  103. COMMISSION 14: ATOMIC AND MOLECULAR DATA
  104. Ab initio vibration–rotation spectra of triterated isotopologues of
  105. Low and intermediate energy electron collisions with the C−2molecular anion
  106. Resonant states of H3+ and D2H+
  107. Calculation of the O−H Stretching Vibrational Overtone Spectrum of the Water Dimer
  108. Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H2O16, H2O17, and H2O18
  109. Excitations to the electronic continuum of3HeT+in investigations of T2β-decay experiments
  110. Resonances in Electron-Impact Electron Detachment of C 2 −
  111. A line list of allowed and forbidden rotational transition intensities for water
  112. R-matrix calculations of low-energy electron alkane collisions
  113. Electron-impact study of NeF using the R -matrix method
  114. Potential energy surface of HDO up to 25000cm−1
  115. A new ab initio ground-state dipole moment surface for the water molecule
  116. New ab initio potential energy surface and the vibration-rotation-tunneling levels of (H2O)2 and (D2O)2
  117. Global plasma simulations using dynamically generated chemical models
  118. Overtone spectroscopy of H2D+ and D2H+ using laser induced reactions
  119. MARVEL: measured active rotational–vibrational energy levels
  120. Quantemol-N: an expert system for performing electron molecule collision calculations using the R-matrix method
  121. Low-energy positron collisions with water: elastic and rotationally inelastic scattering
  122. Water vapour in the atmosphere of a transiting extrasolar planet
  123. R-matrix calculation of the continuum states of carbon monoxide
  124. Electron re-scattering from H2and CO2using R-matrix techniques
  125. Molecular line lists for modelling the opacity of cool stars
  126. Electron collision with the HCN and HNC molecules using theR-matrix method
  127. The United Kingdom Infrared Telescope Deep Impact observations: Light curve, ejecta expansion rates and water spectral features
  128. The United Kingdom Infrared Telescope Deep Impact observations: Light curve, ejecta expansion rates and water spectral features
  129. CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule
  130. Infrared emission spectrum of hot D2O
  131. Near-threshold rotational excitation of molecular ions by electron impact
  132. R -matrix calculation of differential cross sections for low-energy electron collisions with ground-state and electronically excited-state O 2 molecules
  133. WATERWAVES: wave particles dynamics on a complex triatomic potential
  134. Low-energy electron collisions with C2using theR-matrix method
  135. R -matrix calculation of electron collisions with electronically excited O 2 molecules
  136. Spectrum of hot water in the 2000–4750cm−1 frequency range
  137. Spectroscopically determined potential energy surfaces of the H216O, H217O, and H218O isotopologues of water
  138. R-matrix calculation of the potential energy curves for Rydberg states of carbon monoxide
  139. Molecular effects in investigations of tritium molecule β decay endpoint experiments
  140. Properties of high-lying vibrational states of the molecular ion
  141. Ab initio spectroscopy of D2H+ near dissociation
  142. Calculating the vibration–rotation spectrum of water
  143. Fourier transform absorption spectra of H218O and H217O in the 3ν+δ and 4ν polyad region
  144. Continuous-wave cavity ringdown spectroscopy of the 8ν polyad of water in the 25195−25340cm−1 range
  145. Monodromy in the water molecule
  146. Asymptotic vibrational states of the H3+molecular ion
  147. Water vapour line assignments in the 9250–26000cm−1 frequency range
  148. Astronomical Spectroscopy
  149. A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions
  150. On equilibrium structures of the water molecule
  151. Water line parameters for weak lines in the range 7400–9600cm−1
  152. Carbon monoxide in low-mass dwarf stars
  153. A 3000K laboratory emission spectrum of water
  154. Calculated spectra for HeH + and its effect on the opacity of cool metal-poor stars
  155. Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene
  156. Effective computation of matrix elements between polynomial basis functions
  157. Deuterated water: partition functions and equilibrium constants
  158. New vibration–rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4
  159. DVR3D: a program suite for the calculation of rotation–vibration spectra of triatomic molecules
  160. Deuterated hydrogen chemistry: partition functions, equilibrium constants and transition intensities for the H+3system
  161. Cavity ring-down spectroscopy of H218O in the range 16570–17120cm−1
  162. R-matrix calculation of low-energy electron collisions with LiH
  163. Water production and release in Comet 153P/Ikeya–Zhang (C/2002 C1): accurate rotational temperature retrievals from hot-band lines near 2.9-μm
  164. PartitionedR-matrix theory for molecules
  165. Elastic differential cross sections for the CFx(x= 1, 2, 3) radicals
  166. Can ortho–para transitions for water be observed?
  167. Low-energy electron collisions with water: elastic and rotationally inelastic scattering
  168. Electron-impact rotational excitation of water
  169. Analysis of hot D2O emission using spectroscopically determined potentials
  170. Electron collisions with the CF3radical using theR-matrix method
  171. Water line intensities in the near-infrared and visible
  172. Electron molecule collisions calculations using the R-matrix method
  173. Water line parameters for weak lines in the range 9000–12700cm−1
  174. Electron collisions with the CF radicals using theR-matrix method
  175. Emission spectrum of hot HDO below 4000 cm−1
  176. Calculating energy levels of isomerizing tetra-atomic molecules. I. The rovibrational bound states of Ar2HF
  177. Rotation-vibration states of H3+ at dissociation
  178. Spectroscopically determined potential energy surface of H216O up to 25 000 cm−1
  179. Temperature dependent partition functions and equilibrium constant for HCN and HNC
  180. Calculating quasi-bound rotation-vibrational states of HOCl using massively parallel computers
  181. Absorption Spectrum of H218O in the Range 12 400–14 520 cm−1
  182. Opacity Data for HCN and HNC from a New Ab Initio Line List
  183. Weak Line Water Vapor Spectrum in the 11 787–13 554 cm−1 Region
  184. Calculated rates for the electron impact dissociation of molecular hydrogen: mixed isotopomers and scaling laws
  185. Laboratory Spectroscopy of Hot Water near 2 Microns and Sunspot Spectroscopy in the H‐Band Region
  186. Electron-impact rotational excitation of symmetric-top molecular ions
  187. Higher-order relativistic corrections to the vibration–rotation levels of H2S
  188. Calculated rates for the electron impact dissociation of molecular hydrogen, deuterium and tritium
  189. Variational calculations of vibrational energy levels for XY4molecules 1. Stretching states
  190. Variational calculations of vibrational energy levels for XY4molecules: 2. Bending states of methane
  191. R-matrix calculations for polyatomic molecular ions: electron scattering by H3+and H3O+
  192. Beyond the Born–Oppenheimer approximation: High-resolution overtone spectroscopy of H2D+ and D2H+
  193. GTOBAS: fitting continuum functions with Gaussian-type orbitals
  194. 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)
  195. Electron collisions with the CF2radical using theR-matrix method
  196. Ab initio rotation–vibration spectra of HCN and HNC
  197. Spectral analysis of water vapour in cool stars
  198. Ab initio rotation–vibration energy levels of triatomics to spectroscopic accuracy
  199. Weak Line Water Vapor Spectra in the Region 13 200–15 000 cm−1
  200. Electron impact dissociative excitation of water within the adiabatic nuclei approximation
  201. Emission Spectrum of Hot HDO in the 380–2190 cm−1 Region
  202. Electron collisions with OClO using theR-matrix method
  203. The Visible and Near Ultraviolet Rotation–Vibration Spectrum of HOD
  204. Ab initio global potential, dipole, adiabatic, and relativistic correction surfaces for the HCN–HNC system
  205. Two-electron relativistic corrections to the potential energy surface and vibration–rotation levels of water
  206. Differential cross sections for near-threshold electron impact dissociation of molecular hydrogen
  207. Ab initio rovibrational spectroscopy of hydrogen sulfide
  208. Electron-impact rotational excitation of linear molecular ions
  209. Electron collisions with Cl2O using theR-matrix method
  210. The impact of new water vapour spectral line parameters on the calculation of atmospheric absorption
  211. The Water Vapor Spectrum in the Region 8600–15 000 cm−1: Experimental and Theoretical Studies for a New Spectral Line Database
  212. The Water Vapor Spectrum in the Region 8600–15 000 cm−1: Experimental and Theoretical Studies for a New Spectral Line Database
  213. Experimental Energy Levels of the Water Molecule
  214. Spectroscopy of H3+ and its impact on astrophysics
  215. Estimation of Lamb-shift effects for molecules: Application to the rotation-vibration spectra of water
  216. Dream or Reality: Complete Basis Set Full Configuration Interaction Potential Energy Hypersurfaces
  217. Accurate partition function and thermodynamic data for water
  218. New studies of the visible and near‐infrared absorption by water vapour and some problems with the HITRAN database
  219. Electron collisions with ClO using theR-matrix method
  220. The near ultraviolet rotation-vibration spectrum of water
  221. Bound and quasi-bound rotation-vibrational states using massively parallel computers
  222. An accurate, global,ab initiopotential energy surface for the H+3molecule
  223. Using Laboratory Spectroscopy to Identify Lines in theK‐ andL‐Band Spectrum of Water in a Sunspot
  224. The ground-state potential energy surface of water: barrier to linearity and its effect on the vibration–rotation levels
  225. Anab initiocalculation of electron impact vibrational excitation of NO+
  226. The near infrared, visible, and near ultraviolet overtone spectrum of water
  227. Comment on `Potential energy surfaces of excited states of H2−' (Chem. Phys. Lett. 285 (1998) 114–120)
  228. Electron-impact rotational excitation of CH +
  229. Ab initio calculation of the rotation–vibration energy levels of H3+ and its isotopomers to spectroscopic accuracy
  230. Rates for the Electron Impact Dissociation of Molecular Hydrogen
  231. Spectroscopy from first principles: a breakthrough in water line assignments
  232. Molecular Rotation-Vibration Calculations using Massively Parallel Computers
  233. Near-threshold electron impact dissociation of H2within the adiabatic nuclei approximation
  234. Hot Bands of Water up to 6ν2–5ν2in the 933–2500 cm−1Region
  235. Calculation of the rotation–vibration states of water up to dissociation
  236. The UK molecular R-matrix codes
  237. TIMEDEL: A program for the detection and parameterization of resonances using the time-delay matrix
  238. ROTIONS: A program for the calculation of rotational excitation cross sections in electron—molecular ion collisions
  239. Calculated high-temperature partition function and related thermodynamic data for H216O
  240. Calculated rotational and vibrational excitation rates for electron-HeH+ collisions
  241. Relativistic correction to the potential energy surface and vibration-rotation levels of water
  242. Water on the Sun: The Sun yields more secrets to spectroscopy
  243. Water Vapor Line Assignments in the Near Infrared
  244. On the calculation of electron-impact rotational excitation cross sections for molecular ions
  245. A non-adiabatic calculation of NO Rydberg states above several ionisation thresholds
  246. Electron- scattering resonances as a function of bond length
  247. Continuum states of
  248. Rotation-vibration calculations using massively parallel computers
  249. High-Temperature Rotational Transitions of Water in Sunspot and Laboratory Spectra
  250. The Spectrum of Hot Water: Rotational Transitions and Difference Bands in the (020), (100), and (001) Vibrational States
  251. Ab Initio Calculations of Vibrationally Resolved Resonances in Electron Collisions with H 2 , HD, and D 2
  252. On the Spectroscopically Determined Potential Energy Surfaces for the Electronic Ground States of NO2and H2O
  253. A global potential energy surface for the H3+ molecule
  254. Hot Bands of Water in the ν2Manifold up to 5ν2-4ν2
  255. Parent state swapping of resonances in electron - hydrogen molecule scattering
  256. Ab initiopotential energy curves of Rydberg, valence and continuum states of NO
  257. Phase factors in electron-molecule collision calculations
  258. [ITAL]K[/ITAL]-Band Spectrum of Water in Sunspots
  259. New Assignments for the Infrared Spectrum of H3+
  260. Variation in the H[FORMULA][F][SUP]+[/SUP][INF]3[/INF][/F][/FORMULA] Emission of Uranus
  261. R-matrix calculation of Rydberg states of CO
  262. RESONANCE PARAMETERS AND QUANTUM DEFECTS FOR SUPEREXCITED H2
  263. Calculated spectrum for near-dissociation H3+: a first attempt
  264. The potential energy surface of H2 16O
  265. Time-delay matrix analysis of resonances in electron scattering: - and
  266. Vibration-rotation levels of water beyond the Born-Oppenheimer approximation
  267. The Potential Energy Surface of Hydrogen Sulfide
  268. Spectroscopic Properties of the H 3 + Molecule: A New Calculated Line List
  269. A new algorithm for Hamiltonian matrix construction in electron - molecule collision calculations
  270. Low-energy electron impact excitation of the nitrogen molecule: optically forbidden transitions
  271. Quantum transport, recurrence and localization in H+ 3
  272. Spectroscopically determined Born–Oppenheimer and adiabatic surfaces for H3+, H2D+, D2H+, and D3+
  273. A High-Temperature Partition Function for [FORMULA][F][RM]H[/RM][SUP]+[/SUP][INF]3[/INF][/F][/FORMULA]
  274. On the determination of potential energy surfaces of spectroscopic accuracy
  275. Asymmetric adiabatic correction to the rotation–vibration levels of H2D+ and D2H+
  276. DVR3D: for the fully pointwise calculation of ro-vibrational spectra of triatomic molecules
  277. Computed infrared absorption properties of hot water vapour
  278. The UK Molecular R-Matrix Scattering Package: a Computational Perspective
  279. Ab initio ro-vibrational levels of H3+ beyond the Born-Oppenheimer approximation
  280. What astronomy has learned from observations of
  281. A spectroscopically determined potential energy surface for the ground state of H216O: A new level of accuracy
  282. Coarse grained spectra, dynamics and quantum phase space structures of H+3
  283. Non-Born-Oppenheimer correction to the H 3 + potential from experimental data
  284. The calculation of molecular spectra using finite-element methods
  285. H3+: from first principles to Jupiter
  286. R-Matrix Calculations of Inelastic Electron Scattering by Diatomic Molecules
  287. Nonlinear normal modes and local bending vibrations of H+3 and D+3
  288. Rotational excitation with pointwise vibrational wave functions
  289. On the Meyer–Botschwina–Burton potential energy surface for H3+
  290. DVR1D: programs for mixed pointwise/basis set calculation of ro-vibrational spectra
  291. DVR3D: programs for fully pointwise calculation of vibrational spectra
  292. Triatom: programs for the calculation of ro-vibrational spectra of triatomic molecules
  293. Gateway states and bath states in the vibrational spectrum of H+3
  294. All the bound vibrational states of H3+: A reappraisal
  295. ChemInform Abstract: H3+ in Space
  296. Coordinate ordering in the discrete variable representation
  297. First-principles calculations on the astrochemistry and spectroscopy of H + 3
  298. Electron Collision Induced Excitations and Dissociation of HeH+ Using the R-Matrix Method
  299. On the use of variational wavefunctions in calculating vibrational band intensities
  300. On the convergence of effective Hamiltonian expansions
  301. Dicretization to avoid singularities in vibration–rotation Hamiltonians: A bisector embedding for AB2 triatomics
  302. Bands of H3+ up to 4ν2: Rovibrational transitions from first principles calculations
  303. Accurate specific molecular state densities by phase space integration. II. Comparison with quantum calculations on H+3 and HD+2
  304. Reply to Comment on: Discrepancies between variationally calculated vibrational energies of H3+
  305. H3 + in space
  306. Calculating molecular spectra
  307. Faraday research article. Why calculate the spectra of small molecules?
  308. Identification of features due to H3+ in the infrared spectrum of supernova 1987A
  309. Highly excited vibrational states of the KCN molecule
  310. Band origins for water up to 22 000 cm−1: A comparison of spectroscopically determined potential energy surfaces
  311. Imaging Jupiter's aurorae from H+3 emissions in the 3–4 μm band
  312. A table of astronomically important ro-vibrational transitions for the H3(+) molecular ion
  313. A general treatment of vibration‐rotation coordinates for triatomic molecules
  314. The Calculation of RO-Vibrational Molecular Spectra From First Principles
  315. Observation of the 3ν2 ← 0 overtone band of H3+
  316. Infrared Emissions of H 3 + in the Atmosphere of Jupiter in the 2.1 and 4.0 Micron Region: Erratum
  317. Calculated spectra for the N2-Ar van der Waals complex
  318. All the vibrational bound states of H+3
  319. Calculated rotational and rovibrational spectra of D2S and HDS
  320. Infrared emissions of H3(+) in the atmosphere of Jupiter in the 2.1 and 4.0 micron region
  321. Differential cross sections for elastic positron-H2 collisions using the R-matrix method
  322. Resonances in the electronic excitation of molecular hydrogen
  323. Forbidden rotational and rovibrational transitions in H3+: First principles calculations
  324. Spectroscopy and dynamics of the highly excited nonrotating three-dimensional H+3 molecular ion
  325. Very highly excited vibrational states of LiCN using a discrete variable representation
  326. Quantum mechanics of highly excited states of the H+3 molecular ion: A numerical study of the two degree of freedom C2v subspace
  327. The Solution of the Bound State Nuclear Motion Problem for Polyatomic Clusters
  328. Discrete variable representations of large-amplitude ro-vibrational states in a generalised coordinate system
  329. Highly excited rovibrational states using a discrete variable representation: The H+3 molecular ion
  330. A program suite for the calculation of ro-vibrational spectra of triatomic molecules
  331. Benchmark calculations of first principles rotational and ro-vibrational line strenghts
  332. Hot band transition frequencies and line strengths in H3+: First principles calculations
  333. Fractionation effects in muonium–molecular hydrogen reactions
  334. First principles calculation of rotational and ro-vibrational line strengths
  335. The Calculation of Ro-Vibrational Spectra Using Supercomputers
  336. Positron-Hf Collisions: Prediction of a Weakly Bound State
  337. Calculated rotational and rovibrational transitions in the spectrum of H3(+)
  338. A b i n i t i o investigation of the bound rovibrational states in the electronic ground...
  339. Overtone bands of H3+: First principle calculations
  340. Calculation of the high angular momentum dissociation limit for H3+ and H2D+
  341. Calculated Vibrationally and Rotationally Resolved Photoelectron Spectra of H2
  342. Calculated ro-vibrational spectrum of 7Li+3 and 7Li2 6Li+
  343. A Ro-Vibrational Study of Regular/Irregular Behaviour of the CO-Ar System
  344. Beyond ro-vibrational separation
  345. Predicted vibration–rotation levels of H2He+ and its isotopomers
  346. The generation of continuum orbitals for molecular r-matrix calculations using lagrange orthogonalisation
  347. The use of supercomputers for the variational calculation of ro-vibrationally excited states of floppy molecules
  348. First principles calculation of the molecular constants of H3+, H2D+, D2H+, and D3+
  349. PEAD — for the calculation of photoelectron angular distributions of linear molecules
  350. Chaos in Molecular Systems?
  351. Variational methods for the calculation of rovibrational energy levels of small molecules
  352. The AB Initio Inclusion of Polarisation Effects in Low-Energy Positron-Molecule Collisions Using the R-Matrix Method
  353. Understanding Floppy Molecules
  354. Triatom, select and rotlev — For the calculation of the ro-vibrational levels of triatomic molecules
  355. A generalized approach to the calculation of ro-vibrational spectra of triatomic molecules
  356. Highly rotationally excited states of floppy molecules: H2D+withJ⩽ 20
  357. The calculation of the vibration-rotation energies of triatomic molecules using scattering coordinates
  358. On the vibrational Born–Oppenheimer separation scheme for molecules with regular and chaotic states
  359. Transition intensities and fluorescence lifetimes for regular and chaotic states of LiCN
  360. Continuum states of the hydrogen molecule with the R‐Matrix method
  361. The infrared spectrum of H + 3 and its isotopomers. A challenge to theory and experiment
  362. A calculation of the rovibrational spectra of the H3/+, H2D+and D2H+molecules
  363. On the calculation of matrix elements between polynomial basis functions
  364. Quantum vibrational chaos in the ArHCl van der Waals molecule
  365. Rovibrational spectrum of the excited potential energy surface of He+H2 (B 1Σu+)
  366. Routes to vibrational chaos in triatomic molecules
  367. Quantum and classical vibrational chaos in floppy molecules
  368. Calculated ro-vibrational spectrum of H2D+
  369. RESON—A program for the detection and fitting of Breit-Wigner resonances
  370. Vibrational chaos in KCN: A comparison of quantum and classical calculations
  371. Atomdiat2 and genpot: Adaptations of atomdiat for the ro-vibrational levels of any floppy triatomic using a general potential function
  372. Effects of the potential anisotropy on the calculated fine-structure spectrum of O2He
  373. On the rovibrational levels of the H3+and H2D+molecules
  374. Atomdiat — A program for calculating variationally exact ro-vibrational levels of “floppy” triatomics
  375. Variationally exact ro-vibrational levels of the floppy CH2+ molecule
  376. Variationally exact rovibrational spectra of nonrigid triatomics: The HeHF van der Waals molecule
  377. Ab initio rovibrational spectrum of LiNC and LiCN
  378. ATOMDIAT — A program for calculating variationally exact ro-vibrational levels of “floppy” triatomics
  379. Calculated ro-vibrational fine-structure spectrum and weak-field zeeman splittings of the O2Ar van der Waals molecule
  380. Quantum dynamics of the van der Waals molecule (N2)2: An ab initio treatment
  381. The a b i n i t i o calculation of the vibrational-rotational spectrum of triatomic syst...
  382. Ab initio vibrational-rotational spectrum of potassium cyanide: KCN. II. Large amplitude motions and rovibrational coupling
  383. Ab initio vibrational-rotational spectrum of potassium cyanide: KCN
  384. The ground-state H3 molecule
  385. On the isotropic and leading anisotropic terms of the H-H2 potential energy surface
  386. A non-empirical appraisal of the angular-overlap model for transition-metal complexes
  387. Computation of frequencies and linestrengths for triatomic molecules of astronomical interest
  388. Improving the Accuracy of HCN/HNC Opacity Data and Accounting for Isotopomers
  389. H+3 Line Opacity in Cool Population III Stars
  390. PoSSO – Physics of SubStellar Objects