Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen von Ibrahim, Alexander, Wang, Lecheng, Halverson, Tom, Le Roy, Robert J., Roy, Pierre-Nicholas

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO-H2 dimer and frequency shifts of CO in (para-H2)N N = 1-20 clusters von Li, Hui, Zhang, Xiao-Long, Le Roy, Robert J, Roy, Pierre-Nicholas

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First-principles prediction of the Raman shifts in parahydrogen clusters von Faruk, Nabil, Schmidt, Matthew, Li, Hui, Le Roy, Robert J, Roy, Pierre-Nicholas

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2 von Li, Hui, Roy, Pierre-Nicholas, Le Roy, Robert J

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RKR1: A computer program implementing the first-order RKR method for determining diatomic molecule potential energy functions von Le Roy, Robert J.

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betaFIT: A computer program to fit pointwise potentials to selected analytic functions von Le Roy, Robert J., Pashov, Asen

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ExoMol molecular line lists – X. The spectrum of sodium hydride von Rivlin, Tom, Lodi, Lorenzo, Yurchenko, Sergei N., Tennyson, Jonathan, Le Roy, Robert J.

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Methamphetamine‐related working memory difficulties underpinned by reduced frontoparietal responses von Roy, Robert J., Parvaz, Muhammad A., Wakabayashi, Ken T., Blair, Robert J. R., Hubbard, Nicholas A.

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Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters von Li, Hui, Le Roy, Robert J, Roy, Pierre-Nicholas, McKellar, A R W

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"Adiabatic-hindered-rotor" treatment of the parahydrogen-water complex von Zeng, Tao, Li, Hui, Le Roy, Robert J., Roy, Pierre-Nicholas

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Analytic three-dimensional 'MLR' potential energy surface for CO(2)-He, and its predicted microwave and infrared spectra von Li, Hui, Le Roy, Robert J

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Dissociation energies and potential energy functions for the ground X (1)Σ(+) and "avoided-crossing" A (1)Σ(+) states of NaH von Walji, Sadru-Dean, Sentjens, Katherine M, Le Roy, Robert J

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Spectroscopic Properties of MgH2, MgD2, and MgHD Calculated from a New ab Initio Potential Energy Surface von Li, Hui, Le Roy, Robert J

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Raman Vibrational Shifts of Small Clusters of Hydrogen Isotopologues von Schmidt, Matthew, Fernández, José M, Faruk, Nabil, Nooijen, Marcel, Le Roy, Robert J, Morilla, Juan H, Tejeda, Guzmán, Montero, Salvador, Roy, Pierre-Nicholas

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Accurate Analytic Potential and Born–Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis von Henderson, Robert D. E, Shayesteh, Alireza, Tao, Jason, Haugen, Carl C, Bernath, Peter F, Le Roy, Robert J

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Ground State Potential Energy Curve and Dissociation Energy of MgH von Shayesteh, Alireza, Henderson, Robert D. E, Le Roy, Robert J, Bernath, Peter F

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Reference spectroscopic data for hydrogen halides. Part I: Construction and validation of the ro-vibrational dipole moment functions von Li, Gang, Gordon, Iouli E., Le Roy, Robert J., Hajigeorgiou, Photos G., Coxon, John A., Bernath, Peter F., Rothman, Laurence S.

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Quadrupole moment function and absolute infrared quadrupolar intensities for N2 von Li, Hui, Le Roy, Robert J

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Dissociation energies and potential energy functions for the ground X 1Σ+ and “avoided-crossing” A 1Σ+ states of NaH von Walji, Sadru-Dean, Sentjens, Katherine M., Le Roy, Robert J.

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Pathways and reduced-dimension five-dimensional potential energy surface for the reactions H3+ + CO-->H2+HCO+ and H3+ + CO-->H2+HOC von Li, Hui, Hirano, Tsuneo, Amano, Takayoshi, Le Roy, Robert J

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