| Department of Chemistry | Faculty of Science

A. PERSONAL DATA
Name:	Robert J. Le Roy
Address:	534 Rheinland Place Waterloo, ON N2V 2M9
Date of birth:	September 30, 1943
Citizenship:	Canadian
Family Status:	Married; four children
Education:	B.Sc. University of Toronto, 1965, Mathematics and Chemistry M.Sc. University of Toronto, 1967, Chemistry Ph.D. University of Wisconsin‑Madison, 1971, Chemistry

Academic Appointments:
1971 - 1972	Postdoctoral Fellow, Department of Physics, University of Toronto
1972 - 1976	Assistant Professor, Department of Chemistry, University of Waterloo
1976 - 1982	Associate Professor, Department of Chemistry, University of Waterloo
1982 - 1985	Director, Guelph‑Waterloo Centre for Graduate Work in Chemistry, University of Waterloo
1982 - present	Professor, Department of Chemistry, University of Waterloo
1996-1999	Associate Dean of Science for Computing, University of Waterloo
Scholarships and Awards:
1971 - 1972	National Research Council of Canada Postdoctoral Fellowship, held in the Physics Department, University of Toronto
1974 - 1976	Alfred P. Sloan Foundation Fellowship
1976	Science Research Council (U.K.) Senior Visiting Fellowship (Sept./Dec.)
1976	Royal Society‑Nuffield Foundation Travel Bursary (for travel to Oxford) (Sept./Dec.)
1979 - 1980	John Simon Guggenheim Foundation Fellowship
April 1982	Professeur Invité, Université de Paris-Sud, d'Orsay, Laboratoire Spectroscopie de Translation
1984	Rutherford Memorial Medal in Chemistry, from the Royal Society of Canada
1995	Fraser W. Birss Memorial Lecturer, Department of Chemistry, University of Alberta
1995	J. Heyrovský Honorary Medal for Merit in the Chemical Sciences awarded by the Academy of Sciences of the Czech Republic
Other Recognition and/or Service
1980 - 81	Vice Chairman of the Division of Atomic and Molecular Physics of the Canadian Association of Physicists
1981 - 82	Chairman of the Division of Atomic and Molecular Physics of the Canadian Association of Physicists
1982 - 90	Member, Editorial Advisory Board of Chemical Physics Letters
1990	Technical Advisory Subcommittee of the Interuniversity Supercomputer Advisory Board for the Ontario Centre for Large Scale Computing
1982 - present	Director, (GWC)2/University of Waterloo Theoretical Chemistry Computing Facility
1989 - present	Director, University of Waterloo Faculty of Science Computing Facility
1984-present	Lead organizer of the annual Symposium on Chemical Physics at the University of Waterloo
1993-1996	Member, International Advisory Committee of the Ohio State University International Symposium on Molecular Spectroscopy
1994-1996	Member of the Editorial Board of the Journal of Chemical Physics
2001-2003	Member of the Editorial Board of the Journal of Chemical Physics

B. RESEARCH AND SCHOLARSHIP
PUBLICATIONS
114.	Direct-Potential-Fit Determination of Potential Energy and Born-Oppenheimer Breakdown Correction Functions for the B 1Pu “Barrier” State of Li2 Y. Huang and R.J. Le Roy (2003, in preparation).
113.	Fourier Transform Spectroscopy of Chemiluminescence from the A¢ 1P - X 1S+ System of SrO R.H. Skelton, H. Li, C.D. Boone, R.J. Le Roy and P.F. Bernath Journal of Molecular Spectroscopy (2003, in press).
112.	1 Potential, 2 Potential, 3 Potential – 4: Untangling the UV Photodissociation Spectra of HI and DI R.J. Le Roy, G.T. Kraemer and S. Manzhos Journal of Chemical Physics 117, 9353-9369 (2002).
111.	Born-Oppenheimer Breakdown in a Combined-Isotopomer Analysis of the A 1Σu+- X 1Σg+ System of Li2 X. Wang, J. Magnes, A.M. Lyyra, A.J. Ross, F. Martin, P.M. Dove and R.J. Le Roy Journal of Chemical Physics 117, 9339-9346 (2002).
110.	Collisional Broadening and Shifting of Raman Lines, and the Potential Energy Surface for H2-Ar L. Waldron, W.-K. Liu and R.J. Le Roy Journal of Molecular Structure (Theochem) 591, 245-253 (2002).
109.	Representing Born-Oppenheimer Breakdown Radial Correction Functions for Diatomic Molecules R.J. Le Roy and Y. Huang Journal of Molecular Structure (Theochem) 591, 175-187 (2002).
108.	Fourier Transform Spectroscopy of the A¢ 1P - X 1S+ System of CaO C. Focsa, A. Pochet, B. Pinchemel, R.J. Le Roy and P.F. Bernath Journal of Molecular Spectroscopy 203, 330-338 (2000).
107.	Direct Potential Fit Analysis of the X 1Sg+ State of Rbx2: Nothing Else Will Do J.Y. Seto, R.J. Le Roy, J. Vergès and C. Amiot Journal of Chemical Physics 113, 3067-3076 (2000).
106.	Fourier Transform Spectroscopy of BaO: New Ground-State Constants from the A 1S+-X 1S+ Chemiluminescence H. Li, C. Focsa, B. Pinchemel, R. J. Le Roy and P.F. Bernath Journal of Chemical Physics 113, 3026-3033 (2000).
105.	Dipole Moment Surfaces and the Mid- and Far-IR Spectra of N2-Ar F. Wang, F.R.W. McCourt and R.J. Le Roy Journal of Chemical Physics 113, 98-106 (2000).
104.	A “Modified Lennard-Jones Oscillator: Model for Diatom Potential Functions P.G. Hajigeorgiou and R. J. Le Roy Journal of Chemical Physics 112, 3949-3957 (2000).
103.	Molecular Constants and RKR Potential Curve for the Na2 1 3Sg+ State Y. Liu, J. Li, D. Chen, L. Li, K.M. Jones, B. Ji and R.J. Le Roy Journal of Chemical Physics 111, 3494-3497 (1999).
102	Interpreting Vibrationally Resolved Spectra of Molecular Dications (Doubly Positively Charged Molecules): HCl+2 F.R. Bennett, A.D. Critchley, G.C. King, R.J. Le Roy and I.R. McNab Molecular Physics 97, 35-42 (1999).
101.	Vibration-Rotation Emission Spectra and Combined Isotopomer Analyses for the Coinage Metal Hydrides: CuH & CuD, AgH & AgD, and AuH & AuD J.Y. Seto, Z. Morbi, F. Charron, S.K. Lee, P.F. Bernath and R.J. Le Roy Journal of Chemical Physics 110, 11756-11767 (1999).
100.	FTIR Emission Spectra and Molecular Constants for DCl T. Parekunnel, T. Hirao, R.J. Le Roy and P.F. Bernath Journal of Molecular Spectroscopy 195, 185-191 (1999).
99.	FTIR Emission Spectra, Molecular Constants and Potential Curve of Ground-State GeO E.G. Lee, J.Y. Seto. T. Hirao, P.F. Bernath and R.J. Le Roy Journal of Molecular Spectroscopy 194, 197-202 (1999).
98.	Improved Parameterization for Diatom Born-Oppenheimer Breakdown Effects, and a New Combined-isotopes Analysis for HF and DF R.J. Le Roy Journal of Molecular Spectroscopy 194, 189-196 (1999).
97.	Where is the Intensity Maximum in a Pure Rotational Spectrum? R.J. Le Roy Journal of Molecular Spectroscopy 192, 237-238 (1998).
96.	Uncertainty, Sensitivity, Convergence and Rounding in Performing and Reporting Least-Squares Fits R.J. Le Roy Journal of Molecular Spectroscopy 191, 223-231 (1998).
95.	How Do Quantum Effects Change Conclusions About Heterogeneous Cluster Behavious Based on Classical Mechanics Simulations? D.J. Chartrand and R.J. Le Roy Journal of Chemical Physics 108, 8626-8639 (1998).
94.	Linewidths and Shifts of Very Low Temperature CO in He: A Challenge for Theory or Experiment? M. Thachuk, C.E. Chuaqui and R.J. LeRoy Journal of Chemical Physics 105, 4005-4014 (1996).
93.	A Reliable New Potential Energy Surface for H2-Ar C. Bissonnette, K.G. Crowell, R.J. LeRoy, R.J. Wheatley and W.J. Meath Journal of Chemical Physics 105, 2639-2653 (1996).
92.	Use of Simulated Infrared Spectra to Test N2-Ar Pair Potentials and Dipole Moment Surfaces. F. Wang, F.R.W. McCourt and R.J. Le Roy Molecular Physics 88, 821-840 (1996).
91.	Comprehensive Analysis of the A-X Spectrum of I2: An Application of Near-Dissociation Theory. D.R.T. Appadoo, R.J. Le Roy, P.F. Bernath, S. Gerstenkorn, P. Luc, J. Vergès, J. Sinzelle, J. Chevillard and Y. D'Aignaux Journal of Chemical Physics 104 903-912 (1996).
90.	Determination of the Long-Range Potential and Dissociation Energy of the 1 3Dg State of Na2. B. Ji, C.-C. Tsai, L. Li, T.-J. Whang, A.M. Lyyra, H. Wang, J.T. Bahns, W.C. Stwalley and R.J. Le Roy Journal of Chemical Physics 103, 7240-7254 (1995).
89.	Einstein A-Coefficients for Vib-Rotational Transitions in CS. S. Chandra, W.H. Kegel, R.J. Le Roy and T. Hertenstein Astronomy and Astrophysics Supplement Series 114, 175-177 (1995).
88.	Near-Dissociation Expansions and Dissociation Energies for Mg+-(Rare Gas) Bimers. R.J. Le Roy Journal of Chemical Physics 101, 10217-10228 (1994).
87.	Improved Modelling of Atom-Molecule Potential Energy Surfaces: Illustrative Application to He-CO Faraday Discussions of the Chemical Society (London) 97, 81-94 (1994) R.J. Le Roy, C. Bissonnette, T.H. Wu, A.K. Dham and W.J. Meath.
86.	High Resolution Visible Spectrum for the A3P(1)-X1S+ System of IBr. D.R.T. Appadoo, P.F. Bernath and R.J. Le Roy Canadian Journal of Physics 72, 1265-1272 (1994).
85.	Infrared Spectrum and Potential Energy Surface of He-CO. C.E. Chuaqui, R.J. Le Roy and A.R.W. McKellar Journal of Chemical Physics 101 39-61 (1994).
84.	An Efficient New Method for Calculating Eigenvalues and Spectra of Van der Waals Complexes. T. Slee and R.J. Le Roy Journal of Chemical Physics 99, 360-376 (1993).
83.	Effect of Three-Body Forces on the Statics and Dynamics of SF6-(Rg)n and (Rg)13 Clusters. D.J. Chartrand, R.J. Le Roy, A. Kumar and W.J. Meath. Journal of Chemical Physics 98, 5668-5678 (1993).
82.	Determining Repulsive Potentials of InAr from Oscillatory Bound 6 Continuum Emission. W.M. Fawzy, R.J. Le Roy, B. Simard, H. Niki and P.A. Hackett Journal of Chemical Physics 98, 140-149 (1993).
81.	Calculated Rovibrational Energy Levels and Infrared Spectrum of He-C2H2. T. Slee, C. Chuaqui and R.J. Le Roy. Molecular Physics 77, 111-134 (1992).
80.	Jet Emission Specta of CdI and HgI and Near-Dissociation Theory Analyses for CdI and ZnI. K.J. Jordan, R.H. Lipson, N.A. McDonald and R.J. Le Roy. Journal of Physical Chemistry 96, 4778-4787 (1992).
79.	Angle and Bond-Length Dependent C6 Coefficients for H2 Interacting with H, Li, Be and Rare Gas Atoms. A.J. Thakkar, Z.-M. Hu, C.E. Chuaqui, J.S. Carley, and R.J. Le Roy Theoretica Chemica Acta 82, 57-73 (1992).
78.	Molecular Constants Describing the B(3POu+)-X(1S+g) Transitions of 127, 129I and 129, 129I2. S. Gerstenkorn, P. Luc and R.J. Le Roy Canadian Journal of Physics 69, 1299-1303 (1991).
77.	Pulling, Packing and Stacking: Structural Proclivities of SF6 - (Rare Gas)n Van der Waals Clusters. D.J. Chartrand, J.C. Shelley, and R.J. Le Roy Journal of Physical Chemistry 95, 8310-8328 (1991).
76.	Infrared Signatures for Isomerization and Melting in Inhomogeneous Van der Waals Clusters. M.A. Kmetic and R.J. Le Roy Journal of Chemical Physics 95, 6271-6283 (1991).
75.	Direct Determination of Long-Range Inverse-Power Potential Coefficients from Spectroscopic Data. M.R. Davies, J.C. Shelley, and R.J. Le Roy Journal of Chemical Physics 94, 3479-3495 (1991).
74.	Rate Proportioned to (Frequency Shift)2 and Other "All-Else-Being-Equal" Correlations in Vibrational Predissociation. R.J. Le Roy, M.R. Davies, and M.E. Lam Journal of Physical Chemistry 95, 2167-2175 (1991).
73.	Structures, Phase Transitions and Other Dynamical Processes in Inhomogeneous Van der Waals Clusters pp. 371-383 of Dynamics of Polyatomic Van der Waals Complexes (Proceedings of the NATO Advanced Research Workshop, 1990) R.J. Le Roy, J.C. Shelley, D.J. Chartrand and M.A. Kmetic.
72.	Spectra, Phase Transitions and "Dynamical Isomerizations" of Mixed Van der Waals Cluster pp. 137-158 of The Chemical Physics of Atomic and Molecular Clusters (Course CVIII of the International School of Physics "Enrico Fermi", G. Scoles editor, North Holland, Amsterdam, 1990) R.J. Le Roy.
71.	Accurate Thermodynamics Properties of the Six Isotopomers of Molecular Hydrogen. R.J. Le Roy, S.G. Chapman, and F.R. McCourt Journal of Physical Chemistry 94, 923-929 (1990).
70.	BOUND 6 CONTINUUM INTENSITIES: A Computer Program for Calculating Absorption Coefficients, Emission Intensities or (Golden Rule) Predissociation Rates. R.J. Le Roy Computer Physics Communications 52, 383-395 (1989).
69.	Two- vs. Three-Dimensional Melting and Spontaneous Reversing Isomerization in Isolated SF6-(Ar)n Van der Waals Clusters. J.C. Shelly, R.J. Le Roy and F.G. Amar Chemical Physics Letters 152, 14-22 (1988).
68.	An Inversion Procedure for Oscillatory Continuum Spectra: Methods and Application to NaK. R.J. Le Roy, W.J. Keogh, and M.S. Child Journal of Chemical Physics 89, 4564-4578 (1988).
67.	Monte-Carlo Simulation of Structural Properties and Infrared Spectra of SF6-(Ar)n Clusters. D. Eichenauer and R.J. Le Roy Journal of Chemical Physics 88, 2898-2912 (1988).
66.	Spectra, Structure and Dynamics of SF-(Ar)n Clusters pp. 165‑172 of Large Finite Systems (Proceedings of the 20th Jerusalem Symposium on Quantum Chemistry and Biochemistry, D. Reidel, Dordrecht, J. Jortner and B. Pullman, editors, 1987) R.J. Le Roy, D. Eichenauer and J.C. Shelley.
65.	Non-Adiabatic Eigenvalues and Adiabatic Matrix Elements for All Isotopes of Diatomic Hydrogen. C. Schwartz and R.J. Le Roy Journal of Molecular Spectroscopy 121, 420-439 (1987).
64.	Improved Potential Energy Surfaces for the Interaction of Molecular Hydrogen with Ar, Kr and Xe. R.J. Le Roy and J.M. Hutson Journal of Chemical Physics 86, 837-853 (1987).
63.	Spectroscopic Observation of Phase Coexistence in SF6-Arn Clusters for n = 10-20. D. Eichenauer and R.J. Le Roy Physical Review Letters 57, 2920-2923 (1986).
62.	Asymptotic Potential Coefficients for Rare Gas and Alkali Atoms and Simple Molecules Interacting with Metallic Surfaces. C. Schwartz and R.J. Le Roy Surface Science 66, L141-147 (1986).
61.	Ultraviolet Photolysis and Internal Dynamics of Cl2 in an Argon Matrix at 4.2K. J. Fournier, F. Salama and R.J. Le Roy Journal of Physical Chemistry 89, 3530-3534 (1985).
60.	The Secular Equation/Perturbation Theory Method for Calculating Spectra of Van der Waals Complexes. J.M. Hutson and R.J. Le Roy Journal of Chemical Physics 83, 1197-1203 (1985).
59.	Near-Dissociation Expansion Representation of Large Spectroscopic Data Sets: The B(3POu+)-X(1Sg+) System of I2. J.W. Tromp and R.J. Le Roy Journal of Molecular Spectroscopy 109, 352-367 (1985).
58.	A Theoretical Investigation of the Diatomic Di-Cation CO+2. R.W. Wetmore, R.J. Le Roy and R.K. Boyd Journal of Physical Chemistry 88, 6318-6328 (1984).
57.	Orbiting Resonance Model for Recombination of Physisorbed Atoms. C. Schwartz and R.J. Le Roy Journal of Chemical Physics 81, 4149-4159 (1984).
56.	A Two-Isotope Higher-Order RKR-Type Inversion Procedure. C. Schwartz and R.J. Le Roy Journal of Chemical Physics 81, 3996-4001 (1984).
55.	Vibrational Predissociation of Small Van der Waals Molecules Chapter 13, pp. 231-262 of Resonances in Electron-Molecule Scattering, Van der Waals Complexes and Reactive Chemical Dynamics (ACS Symposium Series, Volume 263, D.G. Truhlar, Editor, 1984) R.J. Le Roy.
54.	Level Energies and Infrared Radiative Lifetime of the Muonic Molecule Hem+. P.G. Fournier and R.J. Le Roy Chemical Physics Letters 110, 487-490 (1984).
53.	A Theoretical Investigation of the CH+2 Di-Cation. R.W. Wetmore, R.K. Boyd and R.J. Le Roy Chemical Physics 89, 329-336 (1984).
52.	Functional Form for Representing All Vibrational Eigenenergies of a Diatomic Molecule State. IV. Application to the Br2 B(3POu+) State. C.L. Beckel, R.B. Kwong, A.-R. Hasemi-Attar and R.J. Le Roy Journal of Chemical Physics 81, 66-72 (1984).
51.	Determining the Anisotropic Interaction Potential of D2-Ar from Rotationally Inelastic Cross Sections. U. Buck, H. Meyer and R.J. Le Roy Journal of Chemical Physics 80, 5589-5597 (1984).
50.	Reliability of High-Order Phase-Integral Eigenvalues for Single and Double Minimum Potentials. R. Paulsson, F. Karlsson and R.J. Le Roy Journal of Chemical Physics 79, 4346-4354 (1983).
49.	Re-Examination of the I2 Spectrum Near the B(3POu+) State Dissociation Limit. J.W. Tromp, R.J. Le Roy, S. Gerstenkorn and P. Luc Journal of Molecular Spectroscopy 100, 82-94 (1983).
48.	Vibrational Predissociation of H2-, D2- and HD-Ar Van der Waals Complexes. J.M. Hutson, C.J. Ashton and R.J. Le Roy Journal of Physical Chemistry 87, 2713-2720 (1983).
47.	An RKR-Like Inversion Procedure for Bound-Continuum Transition Intensities. M.S. Child, H. Essén and R.J. Le Roy Journal of Chemical Physics 78, 6732-6740 (1983).
46.	Predissociation of HD-Ar Van der Waals Molecules by Internal Rotation. J.M. Hutson and R.J. Le Roy Journal of Chemical Physics 78, 4040-4043 (1983).
45.	Efficient Calculation of High-Order Semiclassical Scattering Phase Shifts. P. Pajunen and R.J. Le Roy Journal of Chemical Physics 77, 3527-3532 (1982).
44.	Predissociation of Weak-Anisotropy Van der Waals Molecules: Theory, Approximations and Practical Predictions Faraday Discussions of the Chemical Society 73, 339-355 (1982) R.J. Le Roy, G.C. Corey and J.M. Hutson.
43.	An Improved Method of Representing and Extrapolating Diatomic Molecule Rotational Constants. J.W. Tromp and R.J. Le Roy Canadian Journal of Physics 60, 26-34 (1982).
42.	Energy-Partitioning Tunnelling Model and Prediction of "Low" A-Factors for Intramolecular Hydrogen Transfer Reactions. R.J. Le Roy Journal of Physical Chemistry 84, 3508-3516 (1980).
41.	Theory of Deviations from the Limiting Near-Dissociation Behaviour of Diatomic Molecules. R.J. Le Roy Journal of Chemical Physics 73, 6003-6012 (1980).
40.	Near-Dissociation Expansions in the Spectroscopic Determination of Diatom Dissociation Energies. Method and Application to BeAr+ R.J. Le Roy and W.-H. Lam Chemical Physics Letters 71, 544-548 (1980).
39.	Tunnelling Model for Hydrogen Abstraction Reactions in Low Temperature Solids. Applications to Reactions in Alcohol Glasses and Acetonitrile Crystals. R.J. Le Roy, H. Murai and F. Williams Journal of American Chemical Society 102, 2325-2334 (1980).
38.	Applications of Bohr Quantization in Diatomic Molecule Chapter 3, pp. 109-126 of Semiclassical Methods in Molecular Scattering and Spectroscopy (D. Reidel Publ. Co., Dordrecht, edited by M.S. Child, 1980) R.J. Le Roy.
37.	Spectroscopy and Potential Energy Surfaces of Van der Waals Molecules pp. 353-420 of Potential Energy Surfaces (Adv. Chem. Phys. 42, Wiley‑Interscience, K.P. Lawley, Editor, 1980) R.J. Le Roy and J.S. Carley.
36.	Comment Regarding Potential Functions, Level Spacings and Thermodynamic Properties of Van der Waals Molecules. R.J. Le Roy Chemical Physics Letters 67, 207-211 (1979).
35.	Evaluation of Higher-Order JWKB Phase Integrals. M.G. Barwell, R.J. Le Roy, P. Pajunen and M.S. Child Journal of Chemical Physics 71, 2618-2623 (1979).
34.	Widths (Lifetimes) and Energies for Metastable Levels of Atom-Diatom Complexes. J.E. Grabenstetter and R.J. Le Roy Chemical Physics 42, 41-52 (1979).
33.	Energies and Widths of Quasibound Levels (Orbiting Resonances) for Spherical Potentials. R.J. Le Roy and W.-K. Liu Journal of Chemical Physics 69, 3622-3631 (1978).
32.	On Calculating Phase Shifts and Performing Fits to Scattering Cross Sections or Transport Properties. J.W. Hepburn and R.J. Le Roy Chemical Physics Letters 57, 304-310 (1978).
31	Effect of Asymmetric Isotopic Substitution on Atom-Diatom Potentials. W.-K. Liu, J.E. Grabenstetter, R.J. Le Roy and F.R. McCourt Journal of Chemical Physics, 68, 5028-5031 (1978).
30.	On the Application, Breakdown and Near-Dissociation Behaviour of the Higher-Order JWKB Quantization Condition. S.M. Kirschner and R.J. Le Roy Journal of Chemical Physics 68, 3139-3148 (1978).
29.	Determining Anisotropic Intermolecular Potentials for Van der Waals Molecules Faraday Discussions of the Chemical Society 62, 169-178, (1977) R.J. Le Roy, J.S. Carley and J.E. Grabenstetter.
28.	Radial Matrix Elements and Dipole Moment Function for the Ground State of CO. S.M. Kirschner, R.J. Le Roy, J.F. Ogilvie and R.H. Tipping Journal of Molecular Spectroscopy 65, 306-312 (1977).
27.	Diatom Potential Curves and Transition Moment Functions from Continuum Absorption Coefficients: Br2 R.J. Le Roy, R.G. MacDonald and G. Burns Journal of Chemical Physics 65, 1485-1500 (1976).
26.	Determining Potential Energy Constants for Atom- and Molecule-Surface Interactions. R.J. Le Roy Surface Science 59, 541-553 (1976).
25.	Ground State D2 Dissociation Energy from the Near-Dissociation Behaviour of Rotational Level Spacings. R.J. Le Roy and M.G. Barwell Canadian Journal of Physics 53, 1983-1990 (1975).
24.	Periodicity of the Oscillatory J-Dependence of Diatomic Molecular Franck-Condon Factors. R.J. Le Roy and E.R. Vrscay Canadian Journal of Physics 53, 1560-1572 (1975).
23.	Intermolecular Potentials and Isotope Effects for Molecular Hydrogen-Inert Gas Complexes. H. Kreek and R.J. Le Roy Journal of Chemical Physics 63, 338-344 (1975).
22.	Energy Levels of a Diatomic Near Dissociation Chapter 3, pp. 113-176 of Molecular Spectroscopy I, (A Specialist Periodical Report of the Chemical Society of London, R.F. Barrow, D.A. Long and D.J. Millen, editors, 1973) R.J. Le Roy.
21.	Anisotropic Intermolecular Potentials from an Analysis of Spectra of H2- and D2-Inert Gas Complexes. R..J. Le Roy and J. Van Kranendonk Journal of Chemical Physics 61, 4750-69 (1974).
20.	On the Dissociation Energy and Interaction Potential of Ground-State Ne2. R.J. Le Roy, M.L. Klein and I.J. McGee Molecular Physics 28, 587-91 (1974).
19.	Comment on the UV Resonance Spectrum and Ground-State Dissociation Energy of I2. R.D. Verma and R.J. Le Roy Journal of Chemical Physics 61, 438 (1974).
18.	Long-Range Potential Coefficients from RKR Turning Points: C6 and C8 for B(3POu+)-State Cl2, Br2 and I2. R.J. Le Roy Canadian Journal of Physics 52, 246-256 (1974).
17.	Improved Spectroscopic Data Synthesis for I2(B 3POu+) and Predictions of J-Dependence for B(3JOu+)-X(1Sg+) Transition Intensities. J.D. Brown, G. Burns and R.J. Le Roy Canadian Journal of Physics 51, 1664-1677 (1973).
16.	Energy Levels of a Diatomic Near Dissociation Chapter 3, pp. 113-176 of Molecular Spectroscopy I, (A Specialist Periodical Report of the Chemical Society of London, R.F. Barrow, D.A. Long and D.J. Millen, editors, 1973) R.J. Le Roy.
15.	Improved Spectroscopic Dissociation Energy for Ground-State Ar2. R.J. Le Roy Journal of Chemical Physics 57, 573-574 (1972).
14.	Dependence of the Diatomic Rotational Constant Bv on the Long-Range Internuclear Potential. R.J. Le Roy Canadian Journal of Physics 50, 953-959 (1972).
13.	Quantum Mechanical Tunnelling in Hydrogen Atom Abstraction from Solid Acetonitrile at 77-87K. R.J. Le Roy, E.D. Sprague and F. Williams Journal of Physical Chemistry 76, 546-551 (1972).
12.	Analysis of the Long-Range Internuclear Potentials of B(3POu+)-State Br2 and Cl2. R.J. Le Roy Journal of Molecular Spectroscopy 39, 155-179 (1971).
11.	Eigenvalues and Certain Expectation Values for All Bound and Quasibound Levels of Ground-State (X 1Sg+) H2, HD and D2. R.J. Le Roy Journal of Chemical Physics 54, 5433-5434 (1971).
10.	Shape Resonances and Rotationally Predissociating Levels: The Atomic Collision Time-Delay Functions and Quasibound Level Properties of H2(X 1Sg+). R.J. Le Roy and R.B. Bernstein Journal of Chemical Physics 54, 5114-5126 (1971).
9.	Dissociation Energies and Long-Range Potentials of Diatomic Molecules from Vibrational Spacings: The Halogens. R.J. Le Roy and R.B. Bernstein Journal of Molecular Spectroscopy 37, 109-130 (1971).
8.	Permeability of One-Dimensional Potential Barriers. R.J. Le Roy, K.A. Quickert and D.J. Le Roy Trans Faraday Society 66, 2997-3006 (1970).
7.	Dissociation Energy and Long-Range Potential of Diatomic Molecules from Vibrational Spacings of Higher Levels. R.J. Le Roy and R.B. Bernstein Journal of Chemical Physics 52, 3869-3879 (1970).
6.	Recombination of Iodine Atoms in Dilute Solutions of Argon. G. Burns, R.J. Le Roy, D.J. Morriss and J.A. Blake Procedures of Royal Society (London) A316, 8l-96 (1970).
5.	Dissociation Energies of Diatomic Molecules from Vibrational Spacings of Higher Levels: Application to the Halogens. R.J. Le Roy and R.B. Bernstein Chemical Physics Letters 5, 42-44 (1970).
4.	Molecular Constants and Internuclear Potential of Ground-state Molecular Iodine. R.J. Le Roy Journal of Chemical Physics 52, 2683-2689 (1970).
3.	Spectroscopic Reassignment and Ground-State Dissociation Energy of Molecular Iodine. R.J. Le Roy Journal of Chemical Physics 52, 2678-2682 (1970).
2.	Dissociation Energy and Vibrational Terms of Ground-State (X 1Sg+) Hydrogen. R.J. Le Roy and R.B. Bernstein Journal of Chemical Physics 49, 4312-4321 (1968).
1.	A Method for Testing and Improving Molecular Constants of Diatomic Molecules with Special Reference to Br2(X 1Sg+). R.J. Le Roy and G. Burns Journal of Molecular Spectroscopy 25, 77-85 (1968).

Cited Technical Reports and Distributed Computer Programs
DSParFit 2.0:	A Computer Program for Fitting Multi-Isotopomer Diatomic Molecule Spectra R.J. Le Roy University of Waterloo Chemical Physics Research Report CP-653 (2001).
	Previous version: University of Waterloo Chemical Physics Research Report CP-646 (2000).
LEVEL 7.4:	A Computer Program for Solving the Radial Schrödinger Equation for Bound and Quasibound Levels. R.J. Le Roy University of Waterloo Chemical Physics Research Report CP-642R3 (2001).
	Previous versions: University of Waterloo Chemical Physics Research Report CP-642R2 (2000). University of Waterloo Chemical Physics Research Report CP-642R (2000). University of Waterloo Chemical Physics Research Report CP-642 (2000). University of Waterloo Chemical Physics Research Report CP-555R (1996) University of Waterloo Chemical Physics Research Report CP-555 (1995). University of Waterloo Chemical Physics Research Report CP-330R (1992). University of Waterloo Chemical Physics Research Report CP-330 (1991). University of Waterloo Chemical Physics Research Report CP-230 (1985). University of Waterloo Chemical Physics Research Report CP-110 (1979). University of Waterloo Chemical Physics Research Report CP-58 (1976). University of Wisconsin Theoretical Chemistry Institute Report WIS-TCI-429G (1971).
BCONT 2.0:	A Computer Program for Calculating Bound®Continuum Transition Intensities for Diatomic Molecules R.J. Le Roy University of Waterloo Chemical Physics Research Report CP-650 (2001).
	Previous Versions: University of Waterloo Chemical Physics Research Report CP-329R3 (1993). University of Waterloo Chemical Physics Research Report CP-329R2 (1992). University of Waterloo Chemical Physics Research Report CP-329R (1991). University of Waterloo Chemical Physics Research Report CP-329 (1988).
RKR1:	A Computer Program Implementing the First-Order RKR Method for Determining Diatom Potential Energy Curves from Spectroscopic Constants. R.J. Le Roy University of Waterloo Chemical Physics Research Report CP-425 (1992).
Computer Programs for Inversion of Oscillatory Bound‑Continuum Spectra. R.J. Le Roy University of Waterloo Chemical Physics Research Report CP-327 (1988).
Eigenvalues and Matrix Elements for All Levels of All Isotopic Forms of Diatomic Hydrogen R.J. Le Roy and C. Schwartz University of Waterloo Chemical Physics Research Report CP-301 (1987).

Curriculum Vitae