Robert J. Le Roy

Q: What Schools Are Affiliated With Robert J. Le Roy

Robert J. Le Roy is affiliated with the following schools: University of Waterloo, Jilin University, University of Alberta

Robert J. Le Roy's AcademicInfluence.com Rankings

Robert J. Le Roy

Chemistry

#5031

World Rank

#6135

Historical Rank

Physical Chemistry

#821

World Rank

#877

Historical Rank

chemistry Degrees

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Chemistry

Robert J. Le Roy's Degrees

PhD Chemistry University of British Columbia
Bachelors Chemistry University of British Columbia

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Robert J. Le Roy's Published Works

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

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

Published Works

The HITRAN 2008 molecular spectroscopic database (2005) (7410)
The HITRAN2012 molecular spectroscopic database (2013) (2767)
LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels (2017) (526)
Anisotropic intermolecular potentials from an analysis of spectra of H2‐ and D2‐inert gas complexes (1974) (187)
Improved potential energy surfaces for the interaction of H2 with Ar, Kr, and Xe (1987) (186)
Nonadiabatic eigenvalues and adiabatic matrix elements for all isotopes of diatomic hydrogen (1987) (157)
Shape Resonances and Rotationally Predissociating Levels: The Atomic Collision Time‐Delay Functions and Quasibound Level Properties of H2(X 1Σg+) (1971) (127)
Direct potential fit analysis of the X 1Σg+ state of Rb2: Nothing else will do! (2000) (125)
Energies and widths of quasibound levels (orbiting resonances) for spherical potentials (1978) (122)
Improved Parameterization for Combined Isotopomer Analysis of Diatomic Spectra and Its Application to HF and DF. (1999) (118)
Long-Range Potential Coefficients From RKR Turning Points: C6 and C8 for B(3ΠOu+)-State Cl2, Br2, and I2 (1974) (112)
Diatom potential curves and transition moment functions from continuum absorption coefficients: Br2 (1976) (112)
Infrared spectrum and potential energy surface of He–CO (1994) (111)
Uncertainty, Sensitivity, Convergence, and Rounding in Performing and Reporting Least-Squares Fits. (1998) (109)
A new potential function form incorporating extended long-range behaviour: application to ground-state Ca2 (2007) (98)
Monte Carlo simulations of structural properties and infrared spectra of SF6–(Ar)n clusters (1988) (94)
RKR1: A computer program implementing the first-order RKR method for determining diatomic molecule potential energy functions (2017) (86)
Near-dissociation expansions in the spectroscopic determination of diatom dissociation energies: method, and application to BeAr+ (1980) (85)
Bound → continuum intensities — A computer program for calculating absorption coefficients, emission intensities or (golden rule) predissociation rates (1989) (82)
Dissociation energies and long-range potentials of diatomic molecules from vibrational spacings: The halogens (1971) (80)
Tunneling model for hydrogen abstraction reactions in low-temperature solids. Application to reactions in alcohol glasses and acetonitrile crystals (1980) (80)
A “modified Lennard-Jones oscillator” model for diatom potential functions (2000) (79)
Theoretical investigation of the dication of carbon monoxide (CO2 (1984) (74)
Vibration-rotation emission spectra and combined isotopomer analyses for the coinage metal hydrides: CuH & CuD, AgH & AgD, and AuH & AuD (1999) (73)
Comprehensive analysis of the A–X spectrum of I2: An application of near‐dissociation theory (1996) (65)
A reliable new potential energy surface for H2–Ar (1996) (62)
Energy levels of a diatomic near dissociation (1973) (62)
Near‐dissociation expansions and dissociation energies for Mg+–(rare gas) bimers (1994) (61)
Determining anisotropic intermolecular potentials for van der Waals molecules (1977) (60)
Representing Born -Oppenheimer breakdown radial correction functions for diatomic molecules (2002) (59)
Predissociation of weak-anisotropy Van der Waals molecules. Theory, approximations and practical predictions (1982) (56)
Potential energy, Λ doubling and Born–Oppenheimer breakdown functions for the B 1Πu “barrier” state of Li2 (2003) (55)
Intermolecular potentials and isotope effects for molecular hydrogen–inert gas complexes (1975) (55)
Theory of deviations from the limiting near‐dissociation behavior of diatomic molecules (1980) (53)
Improved Spectroscopic Dissociation Energy for Ground‐State Ar2 (1972) (48)
Rate proportional to (frequency shift)2 and other "all else being equal" correlations in vibrational predissociation (1991) (45)
Quantum mechanical tunneling in hydrogen atom abstraction for solid acetonitrile at 77-87.deg.K (1972) (45)
Determining potential energy constants for atom- and molecule-surface interactions (1976) (45)
dPotFit: A computer program to fit diatomic molecule spectral data to potential energy functions (2017) (42)
Improved Spectroscopic Data Synthesis for I2(B3ΠOu+) and Predictions of J Dependence for B(3ΠOu+)–X(1Σg+) Transition Intensities (1973) (42)
Dependence of the Diatomic Rotational Constant Bν on the Long-Range Internuclear Potential (1972) (40)
Direct-potential-fit analysis of new infrared and UV/visible AΣ+1-XΣ+1 emission spectra of AgH and AgD (2005) (40)
Linewidths and shifts of very low temperature CO in He: A challenge for theory or experiment? (1996) (39)
Reference spectroscopic data for hydrogen halides. Part I: Construction and validation of the ro-vibrational dipole moment functions (2013) (39)
An improved method of representing and extrapolating diatomic molecule rotational constants (1982) (38)
Predissociation of HD–Ar van der Waals molecules by internal rotation (1983) (38)
Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction (2006) (37)
A theoretical investigation of the CH2+ di-cation (1984) (37)
Vibrational predissociation of hydrogen, deuterium, and hydrogen deuteride-argon van der Waals molecules (1983) (36)
On the application, breakdown, and near‐dissociation behavior of the higher‐order JWKB quantization condition (1978) (36)
An RKR‐like inversion procedure for bound–continuum transition intensities (1983) (35)
Ground State D2 Dissociation Energy from the Near-dissociation Behavior of Rotational Level Spacings (1975) (34)
Radial matrix elements and dipole moment function for the ground state of CO (1977) (33)
Effect of asymmetric isotopic substitution on atom–diatom potentials (1978) (32)
Near-dissociation expansion representation of large spectroscopic data sets: The B(3Π0u+ ← X(1Σg+) system of I2 (1985) (30)
Eigenvalues and Certain Expectation Values for All Bound and Quasibound Levels of Ground‐State (X 1Σg+) H2, HD, and D2 (1971) (30)
On the X2Σ+, A2Π, and C2Σ+ states of BeH, BeD, and BeT (2006) (29)
On the dissociation energy and interaction potential of ground-state Ne2 (1974) (28)
Pulling, packing and stacking: structural proclivities of sulfur hexafluoride-(rare gas)n van der Waals clusters (1991) (28)
Adaptive analytical mapping procedure for efficiently solving the radial Schrödinger equation (2008) (28)
ExoMol molecular line lists - X. The spectrum of sodium hydride (2015) (27)
Widths (lifetimes) and energies for metastable levels of atom—diatom complexes (1979) (27)
Accurate thermodynamic properties of the six isotopomers of diatomic hydrogen (1990) (27)
betaFIT: A computer program to fit pointwise potentials to selected analytic functions (2017) (26)
1 potential, 2 potentials, 3 potentials-4: Untangling the UV photodissociation spectra of HI and DI (2002) (25)
A two‐isotope higher‐order RKR‐type inversion procedure (1984) (25)
On calculating phase shifts and performing fits to scattering cross sections or transport properties (1978) (24)
Born–Oppenheimer breakdown in a combined-isotopomer analysis of the A 1Σu+–X 1Σg+ system of Li2 (2002) (24)
Determining repulsive potentials of InAr from oscillatory bound→continuum emission (1993) (23)
The secular equation/perturbation theory method for calculating spectra of van der Waals complexes (1985) (23)
A DPF analysis yields accurate analytic potentials for Li$_2(a\,^3\Sigma^+_u)$ and Li$_2(1\,^3 \Sigma^+_g)$ that incorporate 3-state mixing near the $1\,^3 \Sigma^+_g$-state asymptote (2011) (23)
Two- versus three-dimensional melting and spontaneous reversing isomerization in isolated SF6-(Ar)9 van der Waals clusters (1988) (22)
Accurate analytic potentials for Li 2 „ X 1 g + ... and Li 2 „ A 1 u + ... from 2 to 90 Å , and the radiative lifetime of Li „ 2 p ... (2009) (21)
Evaluation of high‐order JWKB phase integrals (1979) (21)
Permeability of one-dimensional potential barriers (1970) (21)
Fourier transform spectroscopy of BaO: New ground-state constants from the A 1Σ+–X 1Σ+ chemiluminescence (2000) (21)
Fourier Transform Spectroscopy of the A′1Π–X1Σ+ System of CaO (2000) (20)
Reliability of high‐order phase‐integral eigenvalues for single and double minimum potentials (1983) (19)
Calculated rovibrational energy levels and infrared spectrum of He-C2H2 (1992) (19)
Erratum: “Potential energy, Λ doubling and Born–Oppenheimer breakdown functions for the BΠu1 ‘barrier’ state of Li2” [J. Chem. Phys. 119, 7398 (2003)] (2007) (18)
Probing Excited Electronic States Using Vibrationally Mediated Photolysis: Application to Hydrogen Iodide† (2004) (18)
Multi-isotopologue analyses of new vibration–rotation and pure rotation spectra of ZnH and CdH (2006) (17)
Determining Equilibrium Structures and Potential Energy Functions for Diatomic Molecules (2012) (17)
An efficient new method for calculating eigenvalues and spectra of van der Waals complexes (1993) (17)
Dipole moment surfaces and the mid- and far-IR spectra of N2-Ar (2000) (16)
Algebraic vs. numerical methods for analysing diatomic spectral data: a resolution of discrepancies (2004) (16)
Asymptotic potential coefficients for rare gas and alkali atoms and simple molecules interacting with metallic surfaces (1986) (16)
Near infrared emission spectra of CoH and CoD (2006) (15)
High-resolution visible spectrum for the A3Π(l)–X1Σ+ system of IBr (1994) (15)
Reexamination of the I2 spectrum near the B(3Π0u+) state dissociation limit (1983) (14)
Periodicity of the Oscillatory J Dependence of Diatomic Molecule Franck–Condon Factors (1975) (13)
Rovibrational structure and potential energy function of the X 0⁺ ground electronic state of ArXe (2010) (13)
Superfluid response of 4HeN–N2O clusters probed by path integral Monte Carlo simulations (2011) (13)
Direct determination of long‐range inverse‐power potential coefficients from spectroscopic data (1991) (12)
Energy-partitioning tunneling model and prediction of "low" A factors for intramolecular hydrogen transfer reactions (1980) (12)
Functional form for representing all vibrational eigenenergies of a diatomic molecule state. IV. Application to the Br2B(3Π+0u) state (1984) (12)
A Computer Program for Fitting Diatomic Molecule Spectral Data to Potential Energy Functions (2006) (11)
dParFit: A computer program for fitting diatomic molecule spectral data to parameterized level energy expressions (2017) (11)
Molecular constants and Rydberg–Klein–Rees (RKR) potential curve for the Na2 1 3Σg− state (1999) (11)
Comment regarding potential functions, level spacings and thermodynamic properties of van der Waals molecules (1979) (11)
Spectroscopy and Potential Energy Surfaces of Vander Waals Molecules (2007) (10)
Analysis of the long-range internuclear potentials of B(3Π0u+)-state Br2 and Cl2 (1971) (10)
Direct-potential-fit analysis for the A3Π1u–X1Σg+ system of Br2 (2013) (10)
Applications of BOHR Quantization in Diatomic Molecule Spectroscopy (1980) (9)
Orbiting resonance model for recombination of physisorbed atoms (1984) (9)
Resolution of a convergence problem in direct-potential-fit data analyses : Applications to GaH(X1Σ+) and ArH+(X1Σ+) (2006) (8)
Geometry of the CaOCH3 radical from isotope effects in the A˜2E–X˜2A1 transition (2005) (7)
Efficient calculation of high-order semiclassical scattering phase shifts (1982) (6)
Molecular constants describing the transitions of 127,129I2 and 129,129I2 (1991) (6)
Vibrational Predissociation of Small van der Waals Molecules (1984) (5)
Comment on the uv resonance spectrum and ground‐state dissociation energy of I2 (1974) (5)
Microwave and infrared spectra of CO–(pH2)2, CO–(oD2)2, and mixed CO–pH2–He trimers (2014) (5)
Theoretical study of the microwave spectrum of isotopologues of OCS–(He)2 (2010) (5)
Fourier transform spectroscopy of chemiluminescence from the A′1Π–X1Σ+ system of SrO (2003) (5)
Synthesis of a- and -Methyl NEU5Ac a-(2?8) NEU5Ac Disaccharides (1990) (5)
How do quantum effects change conclusions about heterogeneous cluster behavior based on classical mechanics simulations (1998) (5)
Spectra, Structure and Dynamics of SF6-(Ar)n Clusters (1987) (4)
Ultraviolet photolysis and internal dynamics of molecular chlorine in an argon matrix at 4.2 K (1985) (4)
Collisional broadening and shifting of Raman lines, and the potential energy surface for H2–Ar☆ (2002) (3)
Path-integral Monte Carlo simulation of 3 vibrational shifts for CO 2 in „ He ... n clusters critically tests the He – CO 2 potential energy surface (2009) (3)
Where Is the Intensity Maximum in a Pure Rotational Spectrum (1998) (3)
Vibrational energies and full analytic potential energy functions of PbI and InI from pure microwave data (2016) (2)
A DPF data analysis yields accurate analytic potentials for Li 2 a 3 R þ u and Li 2 13 R þ g that incorporate 3-state mixing near the 13 R þ g state asymptote (2011) (2)
Quantum Mechanical Tunneling in Hydrogen Atom Abstraction from Solid Acetonitrile at 77-87 ° K by (2001) (1)
State of the art for ab initio vs empirical potentials for predicting 6e$^{-}$ excited state molecular energies: Application to Li$_{2}\left(b,1^{3}\Pi_{u}\right)$ (2015) (1)
Global empirical potentials from purely rotational measurements (2014) (1)
Spectroscopic Properties of MgH 2 , MgD 2 , and MgHD Calculated from a New ab Initio Potential Energy Surface (1)
that incorporate 3-state mixing near the 1 3 R þ state asymptote (2011) (1)
IMPROVED POTENTIAL ENERGY SURFACES FOR THE INTERACTION OF $H_{2}$ WITH Ar (1989) (1)
DSParFit and DSPotFit: GENERAL PURPOSE PARAMETER-- AND POTENTIAL--FITTING PROGRAMS FOR DIATOMIC DATA ANALYSIS (2001) (1)
THE INFRARED EMISSION SPECTRUM OF DCL (1998) (1)
On the X 2 R + , A 2 P, and C 2 R + states of BeH, BeD, and BeT (2006) (1)
Uncertainty , Sensitivity , Convergence , and Rounding in Performing and Reporting Least-Squares Fits (1998) (1)
A COMPUTERPROGRAM FOR CALCULATING ABSORPTION COEFFICIENTS, EMISSION INTENSITIES OR (GOLDEN RULE) PREDISSOCIATION RATES (1)
Theoretical Investigation of the Diatomic Dication C 02 + (2002) (1)
Potential energy , L doubling and Born – Oppenheimer breakdown functions for the B 1 P u ‘ ‘ barrier ’ ’ state of Li 2 (2003) (1)
emission spectra of AgH and AgD (2005) (1)
Erratum: “Born–Oppenheimer breakdown in a combined-isotopomer analysis of the A 1Σu+−X 1Σg+ system of Li2” [J. Chem. Phys. 117, 9339 (2002)] (2004) (1)
Analytic Empirical Potentials For All Stable Isotopologues Of The Ground X(1σ+) State Of Zno From Purely Rotational Measurements (2014) (0)
MIXED CLUSTERS OF H$_2$ AND H$_2$O: INSIGHTS FROM THEORY AND SIMULATIONS (2011) (0)
AN OPTIMAL STRATEGY FOR REPRESENTING EXTENSIVE DIATOMIC MOLECULE DATA SETS (2003) (0)
MERGING OF THE SPLINE-POINTWISE AND MORSE/LONG-RANGE POTENTIAL FUNCTION FORMS FOR DIRECT-POTENTIAL-FIT DATA ANALYSES (2010) (0)
Erratum: “Molecular constants and Rydberg–Klein–Rees (RKR) potential curve for the Na2 13Σg− state” [J. Chem. Phys. 111, 3494 (1999)] (2002) (0)
First Comprehensive Analysis of the A-X IR Spectrum of $I_{2}$: An Application of the Near-Dissociation Theory (1995) (0)
AN ANALYTIC POTENTIAL ENERGY CURVE FOR THE $a\,^3\Sigma^+$ STATE OF KLi, DERIVED FROM OBSERVATIONS OF THE UPPER VIBRATIONAL LEVELS ONLY (2007) (0)
EXTENSIVE AND HIGHLY ACCURATE LINE LISTS FOR HYDROGEN HALIDES (2011) (0)
POTENTIAL ENERGY SURFACE FOR THE He-CO VAN DER WAALS COMPLEX (1992) (0)
IMPROVED POTENTIAL ENERGY CURVE AND MOLECULAR CONSTANTS FOR THE $A^{3}\Pi_{1u}$ STATE OF $I_{2}$ (2002) (0)
NEAR-DISSOCIATION EXPANSION REPRESENTATION OF LARGE DATA SETS: $B(^{3}\Pi_{Ou}^{+}$) STATE $I_{2}$ (1982) (0)
INFRARED SPECTRA AND ANISOTROPIC POTENTIAL ENERGY SURFACES FOR He-CO AND $H_{2}-CO$ (1994) (0)
IMPROVEMENT OF SPECTROSCOPIC CONSTANTS FOR THE $A^{3}\Pi_{1u}$ $\leftarrow X^{1}\Sigma^{+}_{g}$ SYSTEM OF Br${}_{2}$ (2011) (0)
PURE MW DATA FOR v=0−6 OF PbI GIVE VIBRATIONAL SPACINGS AND A FULL ANALYTIC POTENTIAL ENERGY FUNCTION (2015) (0)
AN EMPIRICAL DIPOLE POLARIZABILITY FOR He FROM A FIT TO SPECTROSCOPIC DATA YIELDING ANALYTIC EMPIRICAL POTENTIALS FOR ALL ISOTOPOLOGUES OF HeH (2015) (0)
A NEW POTENTIAL ENERGY SURFACE FOR N$_2$O--He, AND PIMC SIMULATIONS PROBING INFRARED SPECTRA AND SUPERFLUIDITY (2010) (0)
POTENTIAL ENERGY CURVES OF THE $A ^{1}\Sigma$ STATES OF AgH AND CuH (2004) (0)
A COMPARISON OF EMPIRICAL AND AB INITIO POTENTIAL ENERGY SURFACES FOR $Ar-H_{2}$ Carey Bissonnette. (1993) (0)
DIRECT-POTENTIAL-FIT ANALYSIS FOR Li$_2(a\,^3\Sigma_u^+)$ AND EXTENSIONS OF THE `MLR' POTENTIAL FUNCTION MODEL (2008) (0)
PREDICTING THE IR SPECTRA OF ATOM-MOLECULE VAN DER WAALS COMPLEXES: HELIUM-ACETYLENE. (1990) (0)
Is watson's "charge-modified" reduced mass always best for diatomic ions ? (2016) (0)
ACCURATE AB INITIO, POTENTIAL ENERGY SURFACE AND PREDICTED SPECTROSCOPIC PROPERTIES OF BeH$_2$, BeD$_2$ and BeHD (2006) (0)
QUANTUM MONTE CARLO PREDICTION OF VIBRATIONAL FREQUENCY SHIFTS FOR CO--(p-H$_2$)$_n$ CLUSTERS (2010) (0)
DIRECT-POTENTIAL-FIT DETERMINATION OF AN ACCURATE ANALYTICAL POTENTIAL FOR THE $F(4)^{1}\Sigma_{g}^{-}$ ``SHELF'' STATE OF $Li_{2}$ (2000) (0)
DIRECT DETERMINATION OF LONG-RANGE INVERSE-POWER POTENTIAL COEFFICIENTS FROM VIBRATIONAL ENERGIES AND $B_{V}$ VALUES (1986) (0)
DETERMINING REPULSIVE POTENTIALS FOR THE $X_{1}(^{2}\Pi_{1/2}),X_{2}(^{2}\Pi_{3/2})$ and A$(^{2}\Sigma^{+})$ STATES OF InAr FROM CONTINUUM SPECTRA (1992) (0)
POTENTIAL ENERGY SURFACE FOR THE $H_{2}$-CO VAN DER WAALS COMPLEX (1992) (0)
Vibrational predissociation of H-, D-, and HD-Ar van der Waals molecules (1983) (0)
DIRECT-POTENTIAL-FIT DETERMINATION OF THE LiH $(C^{1}\Sigma^{+})$ DOUBLE MINIMUM POTENTIAL (2000) (0)
A DPF ANALYSIS YIELDS QUANTUM MECHANICALLY ACCURATE ANALYTIC POTENTIAL ENERGY FUNCTIONS FOR THE $A\,^1\Sigma^+$ and $X\,^1\Sigma^+$ STATES OF NaH (2013) (0)
' s personal copy Direct-potential-fit analysis for the A 3 P 1 u — X 1 R þ g system of Br 2 (2013) (0)
An Efficient Approximate Method for Calculating Pressure Shifting Coefficients. (1990) (0)
A THEORETICAL RE-EXAMINATION OF THE UV PHOTODISSOCIATION SPECTRA OF HI AND DI (1999) (0)
DIRECT-POTENTIAL-FIT DETERMINATION OF AN ACCURATE ANALYTICAL POTENTIAL FOR THE $B^{1}\Pi_{u}$ ``BARRIER'' STATE OF $Li_{2}$ (2001) (0)
QUANTUM AND THREE-BODY EFFECTS ON THE SIMULATED IR SPECTRA OF $SF_{6}-(RARE GAS)_{n}$ CLUSTERS (1993) (0)
Ground State D, Dissociation Energy from the Near-dissociation Behavior of Rotational Level Spacings1 (2007) (0)
IMPROVED ANALYTICAL POTENTIALS FOR THE $a\,^3\Sigma_{u}^{+}$ and $X\,^1\Sigma_{g}^{+}$ STATES OF ${\rm Cs_2}$ (2012) (0)
Analytic Empirical Potentials for BeH^+, BeD^+, and BeT^+ Including up to 4TH Order QED in the Long-Range and Predictions for the Halo Nucleonic Molecules 11 BeH^+ and 14 BeH^+. (2015) (0)
SPECTROSCOPIC DIAGNOSTICS FOR TEMPERATURE, CLUSTER SIZE AND DEGREE OF SOLVATION IN INHOMOGENEOUS VAN DER WAALS CLUSTERS (1991) (0)
Direct-Potential (dpf) Analysis for the a 3 Π 1 -X 1 Σ + System of I 35/37 Cl. (2016) (0)
CHARACTERIZATION OF TRAPPING SITES IN RELAXED RARE GAS MATRICES USING MONTE-CARLO SIMULATIONS OF INFRARED MATRIX SHIFTS (1991) (0)
Fourier transform spectroscopy of chemiluminescence from the A 01 P-X 1 R þ system of SrO q (2003) (0)
FOURIER TRNSFORM SPECTROSCOPY OF BaO: ANALYSIS OF $A^{1}\Sigma^{+} - X^{1}\Sigma^{+}$ CHEMILUMINESCENCE (2000) (0)
QUANTITATIVE ANALYSIS OF NON-ADIABATIC PREDISSOCIATION OF $Li_{2}(F\ ^{1}\Sigma_{g}^{+})$ (2000) (0)
AN ACCURATE NEW POTENTIAL FUNCTION FOR GROUND-STATE X${\rm e}_2$ FROM UV AND VIRIAL COEFFICIENT DATA (2011) (0)
AN EXTENSION OF THE `MLR' POTENTIAL FUNCTION FORM WHICH ALLOWS FOR AN ACCURATE DPF TREATMENT OF $\textrm{Li}_2(1^3\Sigma^+_g)$, WHICH COUPLES TO TWO OTHER STATES NEAR THEIR ASYMPTOTES (2009) (0)
High Resolution Laser Spectroscopy for Absorption to Levels Lying Near the Dissociation Limit of the a ^3Π_1 State of {IBr} (2015) (0)
Superfluid Effects in PARA-H_2 Clusters Probed by CO_2 Rotation-Vibration Transitions (2010) (0)
Improved Analytical Potentials for the a ^3Σ u + and X ^1Σ g + States of {Cs_2} (2012) (0)
DIRECT POTENTIAL FIT ANALYSIS OF EMISSION INTO $X {^{1}}\Sigma^{+}_{g}$ STATE $Rb_{2}$: NOTHING ELSE WILL DOI (1999) (0)
Quantum monte carlo simulation of vibrational frequency shifts in CO in solid para-hydrogen (2014) (0)
QUANTUM SOLVATION OF CO$_2$ BY H${\bf e}$ ATOMS: FROM ONSET TO NANODROPLET (2009) (0)
HIGH RESOLUTION SPECTRUM FOR THE $A ^{1}\Sigma^{+}_{u}-X^{1}\Sigma^{+}_{g}$ SYSTEM OF LITHIUM ISOTOPOMERS (1998) (0)
UNIFIED ANALYSIS OF 14 DATA SETS INTERCONNECTING 12 ELECTRONIC STATES OF $As_{2}$ (2001) (0)
Structures, Phase Transitions and Other Dynamical Processes in Inhomogeneous Van der Waals Clusters (1990) (0)
A COMPREHENSIVE 4 POTENTIAL ENERGY CURVE ANALYSIS OF UV PHOTODISSOCIATION DATA FOR HI AND DI (2001) (0)
Analytic Empirical Potential and its Comparison to State of the Art ab initio Calculations for the 6e^- Excited b(1^3Π_u)-STATE of Li_2. (2015) (0)
POTENTIAL ANISOTROPY AND THE INFRARED SPECTRA OF $H_{2}-CO ANDH_{2}-N_{2}$ VAN DER WAALS COMPLEXES (1991) (0)
DETERMINING DIATOM DISSOCIATION LIMITS AND LONG-RANGE POTENTIAL COEFFICIENTS FROM DIRECT FITS TO VIBRATIONAL ENERGIES AND ROTATIONAL CONSTANTS. (1989) (0)
ACCURATE ANALYTIC POTENTIALS FOR THE $A\,^3\Pi_1$ and $X\,^1\Sigma^+$ STATES OF ${\rm IBr}$ FROM A COMBINED-ISOTOPOLOGUE DIRECT-POTENTIAL-FIT DATA ANALYSIS (2011) (0)
Fourier transform spectroscopy of BaO : New ground-state constants from the A 1 S ¿ – X 1 S ¿ chemiluminescence (2000) (0)
Dpf Analyses Yield Fully Analytic Potentials for the B ^1Π u ``BARRIER'' States of {Rb}_2 and {Li}_2 and AN Improved Ground-State Well Depth for {Rb}_2 (2015) (0)
NEW EMPIRICAL POTENTIAL ENERGY FUNCTIONS FOR THE HEAVIER HOMONUCLEAR RARE GAS PAIRS: Ne2, Ar2, Kr2, and Xe2 (2016) (0)
A NEW POTENTIAL ENERGY SURFACE FOR H$_2$--N$_2$O AND PIMC SIMULATION PROBING SUPERFLUIDITY AND VIBRATIONAL FREQUENCY SHIFTS IN DOPED $para$-H$_2$ CLUSTERS (2013) (0)
ACCURATE MOLECULAR CONSTANTS, POTENTIAL CURVE AND BORN-OPPENHEIMER BREAKDOWN CORRECTION FUNCTIONS FOR $X^{1}\Sigma^{+}_{g}$ MgH and MgD (2001) (0)
DIRECT-POTENTIAL-FIT FOR Li$_2(A\,^1\Sigma_u^+)$ USING A MODIFIED LONG-RANGE FORM THAT INCORPORATES THE TRANSITION FROM HUND'S CASE (a) to HUND'S CASE (c) COUPLING (2007) (0)
HI$(v = 2, J = 0)$ PHOTOLYSIS, AND A GLOBAL REANALYSIS OF HI AND DI PHOTODISSOCIATION SPECTRA (2004) (0)
MONTE CARLO SIMULATION OF CHROMOPHORE FREQUENCY SHIFTS IN RARE GAS MATRICES (1995) (0)
USING MONTE-CARLO SIMULATIONS OF MATRIX SHIFTS TO CHARACTERIZE TRAPPING SITES IN RARE GAS MATRICES (1990) (0)
INTRAMOLECULAR VIBRATIONAL ENERGY REDISTRIBUTION IN THE REACTION \\ H$_{3}^{+}$ + CO $\rightarrow$ H$_2$ + HCO$^+$/HOC$^+$ (2009) (0)
HIGH RESOLUTION FTIR EMISSIONE SPECTRA, MOLECULAR CONSTANTS, AND POTENTIAL CURVE OF GROUND-STATE GeO (1999) (0)
Intramolecular Vibrational Energy Redistribution in the Reaction H_{3}^{+} + CO --> H_2 + HCO^+/HOC^+ (2009) (0)
RESOLUTION OF A CONVERGENCE PROBLEM IN DIRECT-POTENTIAL-FIT DATA ANALYSES USING THE HERMAN-ASGHARIAN HAMILTONIAN (2006) (0)
THEORETICAL STUDY OF THE POTENTIAL ENERGY SURFACE FOR THE REACTIONS $\rm {H_{3}^{+}+CO \rightarrow H_2+HCO^{+}}$ and $ \rm{H_{3}^{+}+CO \rightarrow H_2+HOC^{+}}$ (2008) (0)
Fourier Transform Spectroscopy of the A * P – X S System of (2000) (0)
FORM OF THE LEADING DEVIATION FROM THE LIMITING NEAR-DISSOCIATION BEHAVIOUR OF DIATOMIC MOLECULES (1998) (0)
WIDTHS AND ENERGIES FOR METASTABLE LEVELS OF ATOM-DIATOM VAN DER WAALS MOLECULES: HD-Ar (1979) (0)
IMPOSING A MECHANICAL MODEL ON AN IRREGULAR ELECTRONIC STATE: THE $A\,^1\Sigma^+$ STATE OF AgH (2005) (0)
DIRECT POTENTIAL FITTING FOR THE $A\,^3\Pi_{1u}$ and $X\,^1\Sigma^+_g$ STATES OF ${\rm Br_2}$ (2012) (0)
a New Equation of State for Solid para-HYDROGEN (2015) (0)
High Resolution Infrared Emission Spectroscopy of CaO, SrO and BaO Chemiluminescence (2001) (0)
The spectrum of sodium hydride (2015) (0)
POTENTIOLOGY REVISITED:$^{a}$ BETTER FUNCTIONAL FORMS FOR DIRECT-POTENTIAL-FIT DIATOMIC DATA ANALYSIS (2002) (0)
THEORETICAL AND EXPERIMENTAL STUDY OF THE INFRARED SPECTRA OF CO$_2$-({\em para}-H$_2$)$_2$ TRIMERS (2010) (0)
DEVELOPMENT OF A FULL 3-DIMENSIONAL POTENTIAL ENERGY SURFACE FOR He-HF FROM HIGH-RESOLUTION SPECTROSCOPY (1991) (0)
SIMULATED IR SPECTRA FOR TESTING PAIR POTENTIALS AND DIPOLE SURFACES FOR $N_{2}-Ar$ VAN DER WAALS COMPLEX (1995) (0)
SIMULATION STUDIES OF THE VIBRATIONAL DYNAMICS OF ${\mathit para}$-HYDROGEN CLUSTERS (2011) (0)
BCONT, LEVEL and RKR1: PROGRAMS FOR SIMULATING OR FITTING TO BOUND$\rightarrow$CONTINUUM OR BOUND $\leftrightarrow$ BOUND DIATOMIC MOLECULE SPECTRA (2001) (0)
DIRECT-POTENTIAL-FIT ANALYSES OF DIATOMIC DATA ARE BECOMING "ROUTINE": PROGRAM DPotFit (2006) (0)
INCORPORATING DAMPING FUNCTIONS INTO THE MORSE/LONG-RANGE POTENTIAL FUNCTION FORM IMPROVES BOTH LONG-RANGE AND VERY SHORT-RANGE BEHAVIOUR (2010) (0)
ON THE CALCULATION AND NEAR-DISSOCIATION BEHAVIOUR OF DIATOMIC CENTRIFUGAL DISTORTION CONSTANTS (1979) (0)
HIGH RESOLUTION SPECTROSCOPY OF THE $A^{3}\Pi(1_\alpha)-X^{1}\Sigma_g^{+}$ TRANSITION OF $I^{79}Br$ AND $I^{81}Br$ (1992) (0)
Fit Point-Wise Ab Initio Calculation Potential Energies to a Multi-Dimension Morse/Long-Range Model (2016) (0)
AN "ITERATIVE SECULAR EQUATION" METHOD FOR CALCULATING ROVIBRATIONAL STATES OF WEAKLY-BOUND COMPLEXES (1991) (0)
A MODIFIED LENNARD-JONES OSCILLATOR MODEL FOR DIATOMIC POTENTIALS (1994) (0)
ISOTOPOMER DEPENDENCE AND BORN-OPPENHEIMER BREAKDOWN IN MID AND FAR INFRARED SPECTRA OF CdH (2004) (0)
METHOD FOR CALCULATING HIGH-ORDER RKR POTENTIAL (1983) (0)
AN ANALYTIC THREE-DIMENSIONAL POTENTIAL ENERGY SURFACE FOR CO$_2$-He, AND ITS PREDICTED INFRARED SPECTRUM (2007) (0)
ADAPTIVE ANALYTIC MAPPING PROCEDURES FOR SIMPLE AND ACCURATE CALCULATION OF SCATTERING LENGTHS AND PHOTOASSOCIATION ABSORPTION INTENSITIES (2009) (0)
QUANTITATIVE MODELING OF THE $\nu_3$ INFRARED SPECTRUM OF SF$_6$ IN AN Ar MATRIX (2005) (0)
SOLUTE FREQUENCY SHIFTS AS A PROBE OF STRUCTURE AND DYNAMICS IN HETEROGENEOUS VAN DER WAAS CLUSTERS (1990) (0)
DIRECT FITTING OF SPECTROSCOPIC DATA TO MODEL POTENTIALS: PROBLEMS, PROMISE, AND ILLUSTRATIVE APPLICATIONS (1998) (0)
High -- Resolution Laser Spectroscopy of the a 3 Π 1 ← X 1 σ + System of ICl in 0.7 μm Region. (2015) (0)
QUANTUM MONTH CARLO PREDICTION OF VIBRATIONAL FREQUENCY SHIFTS OF $({\rm He})_N$-CO$_2$ CLUSTERS (2008) (0)
THEORETICAL AND EXPERIMENTAL STUDY OF THE ROVIBRATIONAL SPECTRA OF CO$_2$-({\em para}-H$_2$)-He TRIMERS (2011) (0)
VIBRATIONAL FREQUENCY SHIFTS OF $SF_{6}$ MOLECULES INSIDE AND ON THE SURFACE OF SOLID MATRICES OR MOLECULAR CLUSTERS. (1986) (0)
Dissociation energy and vibrational terms of ground state /X /1 Sigma g plus// hydrogen (1971) (0)
Superfluid response of 4 He N – N 2 O clusters probed by path integral Monte Carlo simulations (2011) (0)
DETERMINING AN ATTRACTIVE DIATOM POTENTIAL WELL BY INVERSION OF BOUND-CONTINUUM EMISSION INTENSITIES (1986) (0)
SOLVING THE RADIAL SCHR{O}DINGER EQUATION AT ENERGIES EXTREMELY CLOSE TO \\ DISSOCIATION: BOUND STATES AND SCATTERING LENGTHS (2008) (0)
SPECTRAL INTENSITIES AND THE POTENTIAL SURFACE FOR THE He-CO VAN DER WAALS COMPLEX (1993) (0)
EIGENVALUES AND CERTAIN EXPECTATION VALUES FOR ALL BOUND AND QUASI-BOUND LEVELS OF GROUND-STATE (X$sup 1$$Sigma$/sub g$sup +$)H$sub 2$, HD, AND D . (1971) (0)

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