Robert J. Le Roy
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Robert J. Le Roychemistry Degrees
Chemistry
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Physical Chemistry
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#877
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Chemistry
Robert J. Le Roy's Degrees
- PhD Chemistry University of British Columbia
- Bachelors Chemistry University of British Columbia
Why Is Robert J. Le Roy Influential?
(Suggest an Edit or Addition)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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