## 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
169. The Journal of Physical Chemistry A, vol. 109, no. 46, pp. 10547–10553, 2005
170. Vibrational dynamics of the hydrogen bonded complexes (CH2)2O?HF and ?DF investigated by combined jet- and cell-Fourier transform infrared spectroscopy
Physical Chemistry Chemical Physics, vol. 7, no. 4, p. 592, 2005
171. Continuum and discrete pulsed cavity ring down laser absorption spectra of Br vapor
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 61, no. 9, pp. 2115–2120, 2005
172. Ab initio molecular orbital studies of the vibrational spectra of the van der Waals complexes of boron trifluoride with the noble gases
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 61, no. 7, pp. 1403–1409, 2005
173. Ab initio study of low-lying triplet states of the lithium dimer
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, vol. 62, no. 4-5, pp. 790–799, 2005
174. Flow injection chemical vapor generation of Au using a mixed reductant
Spectrochimica Acta Part B: Atomic Spectroscopy, vol. 60, no. 1, pp. 101–107, 2005
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178. Fourier transform infrared emission spectra of MnH and MnD
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179. Revision of the K 3? and states: new vibrational numberings and new potential functions
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180. Geometry of the CaOCH radical from isotope effects in the transition
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181. Infrared and near infrared emission spectra of SbH and SbD
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182. Infrared and near infrared emission spectra of TeH and TeD
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183. The Lamb-dip spectrum of the =1?0 transition of DF: Crossing resonances and hyperfine components
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184. A build-up cavity for Fourier transform emission experiments
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185. The ? state of Na revisited: A comprehensive study by polarization labeling spectroscopy technique
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186. New experimental data on the K state analyzed with the multi-parameter approach
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187. High-resolution Fourier transform spectroscopy of the CaO A1S+-X1S+ transition: New insights into perturbations by the a3?0+a3?0+ and A1? states?
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188. Reexamination of the structures and energies of LiC and LiC
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189. Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory
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190. Photodissociation of HBr on the surface of Ar clusters at 193nm
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191. Accurate intermolecular ground state potential of the Ar-N[sub 2] van der Waals complex
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192. Infrared spectrum and predissociation dynamics of H[sub 2]O[sup +]–Ar
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