Robert J Le Roy

University of Waterloo, Canada

Articles in Scholarly Journals [Incomplete List]

  1. Full configuration interaction calculation of the low lying valence and Rydberg states of BeH
    Journal of Computational Chemistry, vol. 29, no. 4, pp. 523–532, 2008
  2. A comparative study of single reference correlation methods of the coupled-pair type
    Chemical Physics, vol. 343, no. 2-3, pp. 217–230, 2008
  3. Accurate Kr–CO interaction potential energy surface with vibrational coordinate dependence
    Chemical Physics Letters, vol. 454, no. 1-3, pp. 7–11, 2008
  4. Spectroscopic characterization of the potential energy functions of Ne2 Rydberg states in the vicinity of the Ne(1S0)+Ne(4p') dissociation limits
    Journal of Molecular Spectroscopy, vol. 247, no. 1, pp. 85–99, 2008
  5. Potential energy function of CN-CN-
    Journal of Molecular Spectroscopy, vol. 248, no. 1, pp. 77–80, 2008
  6. On the Theory of Time-Resolved X-ray Diffraction
    Journal of Physical Chemistry B, vol. 112, no. 2, pp. 558–567, 2008
  7. Ab initio study of ground state MH2, HMHe+ and MHe22+, M = Mg, Ca
    Physical Chemistry Chemical Physics, vol. 10, no. 9, p. 1285, 2008
  8. Predicting the infrared transition intensities in the Ar–HF complex: The key role of the dipole moment surface accuracy
    The Journal of Chemical Physics, vol. 128, no. 3, p. 034308, 2008
  9. Ab initio potential energy surface and bound states of the Xe–CO complex
    The Journal of Chemical Physics, vol. 128, no. 4, p. 044309, 2008
  10. Valence transitions of Br[sub 2] in Ar matrices: Interaction with the lattice and predissociation
    The Journal of Chemical Physics, vol. 128, no. 6, p. 064504, 2008
  11. A new potential energy surface and predicted infrared spectra of He–CO[sub 2]: Dependence on the antisymmetric stretch of CO[sub 2]
    The Journal of Chemical Physics, vol. 128, no. 12, p. 124323, 2008
  12. Steering dissociation of Br[sub 2] molecules with two femtosecond pulses via wave packet interference
    The Journal of Chemical Physics, vol. 128, no. 13, p. 134303, 2008
  13. Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc–Zn
    The Journal of Chemical Physics, vol. 128, no. 14, p. 144122, 2008
  14. Pure rotational spectra of PbSe and PbTe: potential function, Born–Oppenheimer breakdown, field shift effect and magnetic shielding
    Physical Chemistry Chemical Physics, vol. 10, no. 15, p. 2078, 2008
  15. Long range dispersion interactions of the low lying states of Mg with H, He, Ne, Ar, Kr and Xe
    Molecular Physics, vol. 106, no. 1, pp. 127–132, 2008
  16. Interplay between theory and experiment in investigations of molecules embedded in superfluid helium nanodroplets
    International Reviews in Physical Chemistry, vol. 27, no. 2, pp. 273–316, 2008
  17. Near-threshold quantization and scattering lengths
    Physical Review A, vol. 77, no. 1, 2008
  18. Two-color photoassociation spectroscopy of ytterbium atoms and the precise determinations of s -wave scattering lengths
    Physical Review A, vol. 77, no. 1, 2008
  19. Resonant double Auger decay in carbon K -shell excitation of CO
    Physical Review A, vol. 77, no. 4, 2008
  20. Improved potentials and Born-Oppenheimer corrections by new measurements of transitions of 129I2 and 127I 129I  in the B3 $\Pi_{\rm O^+_u}$ - X1 $\Sigma^+_{\rm g}$ band system
    The European Physical Journal D, vol. 47, no. 2, pp. 171–179, 2008
  21. Combined analysis of the PFOODR data on the a 3S u + , 23?g, 23S g + , 33?g, and 43S g + states of the K2 molecule
    Optics and Spectroscopy, vol. 103, no. 5, pp. 723–727, 2007
  22. Correction for Triples in Reduced Multireference Coupled-Cluster Approaches
    Collection of Czechoslovak Chemical Communications, vol. 72, no. 1, pp. 100–120, 2007
  23. Study on the (HI)
    Zeitschrift f�r Physikalische Chemie, vol. 221, no. 6, pp. 815–824, 2007
  24. Laser-enhanced molecular-ionization spectrometry of BaO and LuO in low-temperature flame
    Moscow University Chemistry Bulletin, vol. 62, no. 5, pp. 295–297, 2007
  25. Ultracold atom-molecule collisions and bound states in magnetic fields: Tuning zero-energy Feshbach resonances in He-NH (^{3}S^{-})
    Physical Review A, vol. 75, no. 2, 2007
  26. Absorption spectroscopy of the rubidium dimer in an overheated vapor: An accurate check of molecular structure and dynamics
    Physical Review A, vol. 75, no. 3, 2007
  27. Preparation of highly polarized nuclei: Observation and control of time-dependent polarization transfer from H^{35}Cl molecular rotation to ^{35}Cl nuclear spin
    Physical Review A, vol. 76, no. 1, 2007
  28. Enhancement of the formation of ultracold ^{85}Rb_{2} molecules due to resonant coupling
    Physical Review A, vol. 76, no. 2, 2007
  29. Absolute cross sections and kinetic energy release for doubly and triply charged fragments produced by electron impact on CO +
    Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 40, no. 1, pp. 85–100, 2007
  30. Experimental evidence for an isotopic effect in the formation of ultracold ground-state rubidium dimers
    Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 40, no. 16, pp. 3283–3293, 2007
  31. Ab initio calculation on accurate analytic potential energy functions and harmonic frequencies of c3?g+ and B1?u states of dimer 7Li2
    Chinese Physics, vol. 16, no. 8, pp. 2371–2377, 2007
  32. Ab initio calculations on the a3S+u state properties of dimer 7Li2
    Chinese Physics, vol. 16, no. 9, pp. 2701–2708, 2007
  33. Molecular collisions in ultracold atomic gases
    International Reviews in Physical Chemistry, vol. 26, no. 1, pp. 1–28, 2007
  34. Potential energy surfaces and predicted infrared spectra for van der Waals complexes: dependence on one intramolecular vibrational coordinate
    International Reviews in Physical Chemistry, vol. 26, no. 3, pp. 487–520, 2007
  35. Magnesium Isotopes in Metal-poor Dwarfs: The Rise of AGB Stars and the Formation Timescale of the Galactic Halo
    The Astrophysical Journal, vol. 659, no. 1, pp. L25–L28, 2007
  36. Accurate ab initio-based molecular potentials: from extrapolation methods to global modelling
    Physica Scripta, vol. 76, no. 3, pp. C28–C35, 2007
  37. A new potential function form incorporating extended long-range behaviour: application to ground-state Ca2
    Molecular Physics, vol. 105, no. 5, pp. 663–677, 2007
  38. Metastable rovibrational f-symmetry levels of the I 1?g state of H2, HD and D2: experiment and theory
    Molecular Physics, vol. 105, no. 11, pp. 1643–1651, 2007
  39. An isotopic error compensation method for rovibrational spectra of isotopic diatomic molecules
    Molecular Physics, vol. 105, no. 17, pp. 2289–2303, 2007
  40. Nuclear electric quadrupole moment of gold
    The Journal of Chemical Physics, vol. 126, no. 6, p. 064314, 2007
  41. Experimental Vibrational Zero-Point Energies: Diatomic Molecules
    Journal of Physical and Chemical Reference Data, vol. 36, no. 2, p. 389, 2007
  42. The rotational spectra, potential function, Born-Oppenheimer breakdown, and magnetic shielding of SnSe and SnTe
    The Journal of Chemical Physics, vol. 126, no. 11, p. 114305, 2007
  43. Ab initio calculation of the electronic structures of the [sup 3]F ground and [sup 5]F excited states of CoH
    The Journal of Chemical Physics, vol. 126, no. 14, p. 144307, 2007
  44. A full analytic potential energy curve for the a [sup 3]Σ[sup +] state of KLi from a limited vibrational data set
    The Journal of Chemical Physics, vol. 126, no. 19, p. 194313, 2007
  45. Photodissociation of gas-phase I[sub 3][sup -]: Comprehensive understanding of nonadiabatic dissociation dynamics
    The Journal of Chemical Physics, vol. 126, no. 20, p. 204311, 2007
  46. An ab initio study of the CH[sub 3]I photodissociation. II. Transition moments and vibrational state control of the I[sup
    The Journal of Chemical Physics, vol. 126, no. 23, p. 234103, 2007
  47. Calculations of the ground states of BeH and BeH[sup +] without the Born-Oppenheimer approximation
    The Journal of Chemical Physics, vol. 126, no. 21, p. 214305, 2007
  48. Geminal model chemistry III: Partial spin restriction
    The Journal of Chemical Physics, vol. 126, no. 23, p. 234112, 2007
  49. New spectroscopic data, spin-orbit functions, and global analysis of data on the A [sup 1]S[sub u][sup +] and b [sup 3]?[sub u] states of Na[sub 2]
    The Journal of Chemical Physics, vol. 127, no. 4, p. 044301, 2007
  50. Interactions and dynamics in Li+Li[sub 2] ultracold collisions
    The Journal of Chemical Physics, vol. 127, no. 7, p. 074302, 2007
  51. Accuracy of recent potential energy surfaces for the He–N[sub 2] interaction. I. Virial and bulk transport coefficients
    The Journal of Chemical Physics, vol. 127, no. 5, p. 054302, 2007
  52. Optical control of ground-state atomic orbital alignment: Cl([sup 2]P[sub 3/2]) atoms from HCl(v=2,J=1) photodissociation
    The Journal of Chemical Physics, vol. 127, no. 14, p. 144307, 2007
  53. Hg+Br?HgBr recombination and collision-induced dissociation dynamics
    The Journal of Chemical Physics, vol. 127, no. 16, p. 164304, 2007
  54. Interaction of CO with Kr: Potential energy surface and bound states
    The Journal of Chemical Physics, vol. 127, no. 17, p. 174301, 2007
  55. Photodissociation spectroscopy of stored CH[sup +] and CD[sup +] ions: Analysis of the b [sup 3]S[sup -]-a [sup 3]? system
    The Journal of Chemical Physics, vol. 127, no. 20, p. 204304, 2007
  56. Accurate ab initio potential energy curve of F[sub 2]. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method
    The Journal of Chemical Physics, vol. 127, no. 16, p. 164317, 2007
  57. The B [sup 1]? state of NaCs: High resolution laser induced fluorescence spectroscopy and potential construction
    The Journal of Chemical Physics, vol. 127, no. 22, p. 224302, 2007
  58. Accurate ab initio potential energy curve of F[sub 2]. III. The vibration rotation spectrum
    The Journal of Chemical Physics, vol. 127, no. 20, p. 204313, 2007
  59. The mechanism of H-bond rupture: the vibrational pre-dissociation of C2H2–HCl and C2H2–DCl
    Physical Chemistry Chemical Physics, vol. 9, no. 47, p. 6241, 2007
  60. Adiabatic and non-adiabatic corrections to rovibrational energies of diatomic molecules: variational calculations with experimental accuracy
    Physical Chemistry Chemical Physics, vol. 9, no. 20, p. 2538, 2007
  61. Theoretical study of the ArH+ photodissociation
    Physical Chemistry Chemical Physics, vol. 9, no. 37, p. 5088, 2007
  62. Ground State Potential Energy Curve and Dissociation Energy of MgH
    Journal of Physical Chemistry A, vol. 111, no. 49, pp. 12495–12505, 2007
  63. Unraveling Excited States of Doped Helium Clusters
    Journal of Physical Chemistry A, vol. 111, no. 49, pp. 12749–12753, 2007
  64. Interactions in Diatomic Dimers Involving Closed-Shell Metals
    Journal of Physical Chemistry A, vol. 111, no. 49, pp. 12822–12838, 2007
  65. Vibrational Energy Relaxation Rates of H2 and D2 in Liquid Argon via the Linearized Semiclassical Method
    Journal of Physical Chemistry A, vol. 111, no. 3, pp. 460–467, 2007
  66. Computational Spectroscopy of Carbon Monoxide Isotopomers in Helium Clusters
    Journal of Physical Chemistry A, vol. 111, no. 31, pp. 7640–7645, 2007
  67. Mass-Resolved Resonance Enhanced Ionization Study of Complicated Excited Electronic States of Rb2 near 430 nm and Their Predissociation Dynamics
    Journal of Physical Chemistry A, vol. 111, no. 46, pp. 11750–11758, 2007
  68. The pure rotational spectrum of ZnCl (X2S+): Variations in zinc halide bonding
    Journal of Molecular Spectroscopy, vol. 244, no. 2, pp. 153–159, 2007
  69. Infrared spectroscopic studies of the rare gas atom perturbed S1(0) rovibron band of solid parahydrogen
    Journal of Molecular Spectroscopy, vol. 244, no. 2, pp. 138–145, 2007
  70. Broadening of the R(0) and P(2) lines in the 13CO fundamental by helium atoms from 300K down to 12K: Measurements and comparison with close-coupling calculations
    Journal of Molecular Spectroscopy, vol. 246, no. 1, pp. 118–125, 2007
  71. New observation of the 6Li7Li33Sg+, 13?g, and 23?g states and molecular constants with all 6Li2, 7Li2, and 6Li7Li data
    Journal of Molecular Spectroscopy, 2007
  72. Studies on the photodissociation dynamics of HI molecule within the A band range
    Chemical Physics, vol. 342, no. 1-3, pp. 119–125, 2007
  73. The C1?u and 21Su+ states in Li2: Experiment and comparison with theory
    Chemical Physics, vol. 333, no. 2-3, pp. 214–218, 2007
  74. Negative ion photoelectron spectroscopy of copper hydrides
    Chemical Physics Letters, vol. 442, no. 1-3, pp. 12–16, 2007
  75. Formation of HF through radiative association in the early universe
    Chemical Physics Letters, vol. 443, no. 1-3, pp. 40–42, 2007
  76. Potential energy curves of the quasi-stable states of CO2+ determined using Auger spectroscopy
    Chemical Physics Letters, vol. 445, no. 1-3, pp. 6–11, 2007
  77. The 51?u electronic state of the lithium dimer
    Chemical Physics Letters, vol. 444, no. 4-6, pp. 229–231, 2007
  78. Photodissociation dynamics of HI and DI at 157nm
    Chemical Physics Letters, 2007
  79. Controlling the spreading of wave packets of a dissociating molecule
    Chemical Physics Letters, vol. 450, no. 1-3, pp. 6–11, 2007
  80. Separation ofortho- andpara-Hydrogen in Van der Waals Complex Formation
    ChemPhysChem, vol. 8, no. 6, pp. 815–818, 2007
  81. The photodissociation of hydrogen iodide: Is it adiabatic?
    International Journal of Quantum Chemistry, vol. 107, no. 14, pp. 2665–2671, 2007
  82. Tunable diode laser spectroscopy of helium clusters
    Applied Physics B, vol. 90, no. 2, pp. 213–225, 2007
  83. A new equation of state for rubidium vapors at temperatures up to 1600 K and pressures up to 4 MPa
    High Temperature, vol. 44, no. 1, pp. 67–82, 2006
  84. F + H2 ? FH + H potential energy surface: Construction of the reference configuration state function space and MR-ACPF-2 results
    International Journal of Quantum Chemistry, vol. 106, no. 7, pp. 1516–1527, 2006
  85. Systematic calculation of molecular vibrational spectra through a complete Morse expansion
    International Journal of Quantum Chemistry, vol. 107, no. 4, pp. 782–797, 2006
  86. The effect of cluster environment on a chemical reaction
    Chemical Physics, vol. 328, no. 1-3, pp. 338–344, 2006
  87. Application of direct potential fitting to line position data for the X1Sg+ and A1Su+ states of Li2
    Journal of Molecular Spectroscopy, vol. 235, no. 2, pp. 235–247, 2006
  88. Analysis of the Na2 43Sg+ state above and below the 3s+3d atomic limit
    Journal of Molecular Spectroscopy, vol. 236, no. 1, pp. 35–41, 2006
  89. On the X2S+, A2?, and C2S+ states of BeH, BeD, and BeT
    Journal of Molecular Spectroscopy, vol. 236, no. 2, pp. 178–188, 2006
  90. Near infrared emission spectra of CoH and CoD
    Journal of Molecular Spectroscopy, vol. 237, no. 1, pp. 11–18, 2006
  91. Multi-isotopologue analyses of new vibration–rotation and pure rotation spectra of ZnH and CdH
    Journal of Molecular Spectroscopy, vol. 237, no. 1, pp. 87–96, 2006
  92. Infrared combination and difference bands of the NO dimer
    Journal of Molecular Spectroscopy, vol. 238, no. 1, pp. 127–134, 2006
  93. Resolution of a convergence problem in direct-potential-fit data analyses: Applications to GaH(X1S+) and ArH+(X1S+)
    Journal of Molecular Spectroscopy, vol. 238, no. 2, pp. 260–263, 2006
  94. The breakdown of the Born–Oppenheimer approximation for protonated rare gas ions
    Journal of Molecular Spectroscopy, vol. 240, no. 1, pp. 52–57, 2006
  95. Isotopically invariant analysis of vibration–rotation transitions of HBr and its isotopologues
    Journal of Molecular Spectroscopy, vol. 240, no. 1, pp. 69–74, 2006
  96. Ab initio excitation spectrum of the CO–Ar van der Waals molecule
    Journal of Molecular Structure: THEOCHEM, vol. 801, no. 1-3, pp. 1–5, 2006
  97. Analytical Chemistry, vol. 78, no. 7, pp. 2382–2387, 2006
  98. The pure rotational spectrum of TeSe: Rotational parameters, Born–Oppenheimer breakdown corrections, and hyperfine constants
    Journal of Molecular Structure, vol. 795, no. 1-3, pp. 163–172, 2006
  99. Analysis of bound-state spectra near the threshold of neutral particle interaction potentials
    Physics Letters A, vol. 352, no. 1-2, pp. 133–137, 2006
  100. The Journal of Physical Chemistry A, vol. 110, no. 19, pp. 6261–6270, 2006
  101. Journal of Physical Chemistry A, vol. 110, no. 30, pp. 9344–9351, 2006
  102. Journal of Physical Chemistry A, vol. 110, no. 39, pp. 11260–11264, 2006
  103. Rotational spectroscopy of AuH and AuD in the 1S+ electronic ground state
    Chemical Physics Letters, vol. 422, no. 1-3, pp. 58–61, 2006
  104. Direct fit of extended Hartree–Fock approximate correlation energy model to spectroscopic data
    Chemical Physics Letters, vol. 424, no. 4-6, pp. 425–431, 2006
  105. Theoretical study of the femtosecond-resolved photoelectron spectrum of the I2- anion
    Chemical Physics Letters, vol. 433, no. 1-3, pp. 28–31, 2006
  106. The Journal of Physical Chemistry A, vol. 110, no. 2, pp. 564–571, 2006
  107. Importance of long-range interactions in chemical reactions at cold and ultracold temperatures
    International Reviews in Physical Chemistry, vol. 25, no. 3, pp. 283–311, 2006
  108. Oriented xenon hydride molecules in the gas phase
    International Reviews in Physical Chemistry, vol. 25, no. 4, pp. 583–612, 2006
  109. Formation, detection and spectroscopy of ultracold Rb2 in the ground X1Sg+ state
    Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 39, no. 19, pp. S857–S869, 2006
  110. Ultracold scattering of Rb atoms and bound states of Rb2
    Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 39, no. 22, pp. 4563–4573, 2006
  111. Physics-Uspekhi, vol. 49, no. 11, p. 1113, 2006
  112. Calculation of absolute scattering phase shifts
    Molecular Physics, vol. 104, no. 1, pp. 147–150, 2006
  113. Accurate computations of the rovibrational spectrum of the He–HF van der Waals complex
    Molecular Physics, vol. 104, no. 9, pp. 1413–1420, 2006
  114. Reference potential approach to the inverse problem in quantum mechanics
    Molecular Physics, vol. 104, no. 16-17, pp. 2671–2684, 2006
  115. Chemical Properties of Electronically Excited Halogen Atoms X([sup 2]P[sub 1/2]) (X=F,Cl,Br,I)
    Journal of Physical and Chemical Reference Data, vol. 35, no. 2, p. 869, 2006
  116. New exchange-Coulomb N[sub 2]–Ar potential-energy surface and its comparison with other recent N[sub 2]–Ar potential-energy surfaces
    The Journal of Chemical Physics, vol. 124, no. 3, p. 034308, 2006
  117. Energetics and dynamics of threshold photoion-pair formation in HF/DF
    The Journal of Chemical Physics, vol. 124, no. 7, p. 074311, 2006
  118. Interaction-induced dipole moment of the Ar–H[sub 2] dimer: Dependence on the H[sub 2] bond length
    The Journal of Chemical Physics, vol. 124, no. 15, p. 154309, 2006
  119. High-resolution laser excitation spectroscopy of the A~ [sup 2]E-X~ [sup 2]A[sub 1] transition of SrCH[sub 3]
    The Journal of Chemical Physics, vol. 124, no. 17, p. 174309, 2006
  120. High resolution spectroscopy and potential determination of the (3)[sup 1]? state of NaCs
    The Journal of Chemical Physics, vol. 124, no. 17, p. 174310, 2006
  121. Experimental long range potential of the B [sup 1]? state in NaRb
    The Journal of Chemical Physics, vol. 124, no. 20, p. 204308, 2006
  122. Computed lifetimes of metastable states of CO[sup 2+]
    The Journal of Chemical Physics, vol. 124, no. 21, p. 214303, 2006
  123. Erratum: “A hierarchical family of three dimensional potential energy surfaces for He-CO” [J. Chem. Phys. 123, 084314 (2005)]
    The Journal of Chemical Physics, vol. 124, no. 22, p. 229901, 2006
  124. Construction and calibration of an instrument for three-dimensional ion imaging
    The Journal of Chemical Physics, vol. 125, no. 13, p. 133503, 2006
  125. An accurate analytic potential function for ground-state N[sub 2] from a direct-potential-fit analysis of spectroscopic data
    The Journal of Chemical Physics, vol. 125, no. 16, p. 164310, 2006
  126. Helium clusters seeded with CO molecules: New results for He[sub N]–[sup 13]C[sup 18]O and the approach to the nanodroplet limit
    The Journal of Chemical Physics, vol. 125, no. 16, p. 164328, 2006
  127. Rovibrational resonance effects in collision-induced electronic energy transfer: I[sub 2](E,v=0–2)+CF[sub 4]
    The Journal of Chemical Physics, vol. 125, no. 19, p. 194313, 2006
  128. CO oxidation on electrically charged gold nanotips
    The Journal of Chemical Physics, vol. 125, no. 21, p. 214707, 2006
  129. Atomic polarization in the photodissociation of diatomic molecules
    Physical Chemistry Chemical Physics, vol. 8, no. 48, p. 5591, 2006
  130. Phase control of the photofragment branching ratio of the HI molecule in two intense few-cycle laser pulses
    Physical Review A, vol. 74, no. 4, 2006
  131. Control of photodissociation pathway for oriented adsorbed molecules using polarized light
    Journal of Physics: Condensed Matter, vol. 18, no. 30, pp. S1345–S1356, 2006
  132. Probing phonon-rotation coupling in helium nanodroplets: Infrared spectroscopy of CO and its isotopomers
    Physical Review B, vol. 73, no. 5, 2006
  133. ION PAIR DISSOCIATION: Spectroscopy and Dynamics
    Annual Review of Physical Chemistry, vol. 57, no. 1, pp. 431–465, 2006
  134. Monte Carlo approach to identification of the composition of stratospheric aerosols from infrared solar occultation measurements
    Applied Optics, vol. 44, no. 22, p. 4785, 2005
  135. Attacking a Small Beast: Ar?CO, a Prototype for Intermolecular Forces
    Zeitschrift f�r Physikalische Chemie, vol. 219, no. 8, pp. 1053–1088, 2005
  136. Potential Energy Curve of N2 in Its Ground Electronic State
    Collection of Czechoslovak Chemical Communications, vol. 70, no. 6, pp. 731–739, 2005
  137. Dipole moment functions for electronic transitions from ion-pair states of the second tier of molecular iodine
    Optics and Spectroscopy, vol. 99, no. 1, pp. 36–42, 2005
  138. Ab initio study for the intermolecular interaction potential surface of Ar-N2 complex
    The European Physical Journal D, vol. 33, no. 1, pp. 43–48, 2005
  139. The D1? state of the NaRb molecule
    The European Physical Journal D, vol. 36, no. 1, pp. 49–55, 2005
  140. Nonthermal Power Law Decay of Metal Dimer Anions
    Physical Review Letters, vol. 94, no. 11, 2005
  141. Ab initio calculation on the analytic potential energy functions for the state a3S+u and the state b3?u of spin-aligned trimer 7Li2
    Chinese Physics, vol. 14, no. 8, pp. 1566–1570, 2005
  142. Exact quantization of nonsolvable potentials: The role of the quantum phase
    Physical Review A, vol. 72, no. 5, 2005
  143. Studies on full vibrational spectra and dissociation energies of some diatomic molecular electronic states using algebraic approaches
    Molecular Physics, vol. 103, no. 17, pp. 2335–2345, 2005
  144. Absorption and fluorescence laser spectroscopy of Rb 2 molecules
    Journal of Modern Optics, vol. 52, no. 16, pp. 2373–2380, 2005
  145. State-to-state dynamics of elementary chemical reactions using Rydberg H-atom translational spectroscopy
    International Reviews in Physical Chemistry, vol. 24, no. 1, pp. 37–98, 2005
  146. The isomers of HF–HCN formed in helium nanodroplets: Infrared spectroscopy and ab initio calculations
    The Journal of Chemical Physics, vol. 122, no. 2, p. 024306, 2005
  147. Quantum mechanical investigation of rovibrational relaxation of H[sub 2] and D[sub 2] by collisions with Ar atoms
    The Journal of Chemical Physics, vol. 122, no. 2, p. 024304, 2005
  148. Close-coupling calculations of low-energy inelastic and elastic processes in [sup 4]He collisions with H[sub 2]: A comparative study of two potential energy surfaces
    The Journal of Chemical Physics, vol. 122, no. 2, p. 024307, 2005
  149. High resolution infrared spectra of H[sub 2]–Kr and D[sub 2]–Kr van der Waals complexes
    The Journal of Chemical Physics, vol. 122, no. 8, p. 084320, 2005
  150. A reliable new three-dimensional potential energy surface for H[sub 2]–Kr
    The Journal of Chemical Physics, vol. 122, no. 8, p. 084321, 2005
  151. Photodissociation of HI and DI: Polarization of atomic photofragments
    The Journal of Chemical Physics, vol. 122, no. 8, p. 084301, 2005
  152. Small para-hydrogen clusters doped with carbon monoxide: Quantum Monte Carlo simulations and observed infrared spectra
    The Journal of Chemical Physics, vol. 122, no. 9, p. 094314, 2005
  153. Time-resolved imaging of the reaction coordinate
    The Journal of Chemical Physics, vol. 122, no. 17, p. 174305, 2005
  154. Helium induced pressure broadening and shifting of HCN hyperfine transitions between 1.3 and 20 K
    The Journal of Chemical Physics, vol. 122, no. 18, p. 184319, 2005
  155. Low temperature pressure broadening of OCS by He
    The Journal of Chemical Physics, vol. 122, no. 20, p. 204308, 2005
  156. Electronic structure, reactivity, and spectroscopy of dihydrides of group-IB metals
    The Journal of Chemical Physics, vol. 122, no. 20, p. 204325, 2005
  157. On equilibrium structures of the water molecule
    The Journal of Chemical Physics, vol. 122, no. 21, p. 214305, 2005
  158. Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel
    The Journal of Chemical Physics, vol. 123, no. 5, p. 054102, 2005
  159. Computing resonance energies, widths, and wave functions using a Lanczos method in real arithmetic
    The Journal of Chemical Physics, vol. 122, no. 24, p. 244107, 2005
  160. Spectroscopy of Ar–SH and Ar–SD. II. Determination of the three-dimensional intermolecular potential-energy surface
    The Journal of Chemical Physics, vol. 123, no. 5, p. 054325, 2005
  161. A hierarchical family of three-dimensional potential energy surfaces for He-CO
    The Journal of Chemical Physics, vol. 123, no. 8, p. 084314, 2005
  162. Accurately solving the electronic Schro¨dinger equation of atoms and molecules using explicitly correlated (r[sub 12]-) multireference configuration interaction. VII. The hydrogen fluoride molecule
    The Journal of Chemical Physics, vol. 123, no. 2, p. 024304, 2005
  163. Photodissociation of HI and DI: Testing models for electronic structure via polarization of atomic photofragments
    The Journal of Chemical Physics, vol. 123, no. 5, p. 054301, 2005
  164. Close-coupling study of rotational energy transfer of CO (?=2) by collisions with He atoms
    The Journal of Chemical Physics, vol. 123, no. 13, p. 134326, 2005
  165. Direct-potential-fit analysis of new infrared and UV/visible A [sup 1]S[sup +]-X [sup 1]S[sup +] emission spectra of AgH and AgD
    The Journal of Chemical Physics, vol. 123, no. 20, p. 204304, 2005
  166. Direct deperturbation analysis of the A [sup 2]?~B [sup 2]S[sup +] complex of [sup 7,6]LiAr isotopomers
    The Journal of Chemical Physics, vol. 123, no. 20, p. 204307, 2005
  167. Near-UV photodissociation of oriented CH[sub 3]I adsorbed on Cu(110)–I
    The Journal of Chemical Physics, vol. 123, no. 20, p. 204709, 2005
  168. Photoinduced ion-pair formation in the (HI)[sub m](H[sub 2]O)[sub n] cluster system
    The Journal of Chemical Physics, vol. 123, no. 21, p. 214308, 2005
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