Search Results - "Le Roy, Robert. J." :: K.UTB vyhledávací portál

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An accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data

by Le Roy, Robert J, Huang, Yiye, Jary, Calvin
Published in The Journal of chemical physics (28.10.2006)

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Equation of state and first principles prediction of the vibrational matrix shift of solid parahydrogen

by Ibrahim, Alexander, Wang, Lecheng, Halverson, Tom, Le Roy, Robert J, Roy, Pierre-Nicholas
Published in The Journal of chemical physics (28.12.2019)

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LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels

by Le Roy, Robert J.
Published in Journal of quantitative spectroscopy & radiative transfer (01.01.2017)

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Analytic Morse/long-range potential energy surfaces and predicted infrared spectra for CO2-H2

by Li, Hui, Roy, Pierre-Nicholas, Le Roy, Robert J
Published in The Journal of chemical physics (07.06.2010)

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First-principles prediction of the Raman shifts in parahydrogen clusters

by Faruk, Nabil, Schmidt, Matthew, Li, Hui, Le Roy, Robert J, Roy, Pierre-Nicholas
Published in The Journal of chemical physics (07.07.2014)

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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

by Li, Hui, Zhang, Xiao-Long, Le Roy, Robert J, Roy, Pierre-Nicholas
Published in The Journal of chemical physics (28.10.2013)

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RKR1: A computer program implementing the first-order RKR method for determining diatomic molecule potential energy functions

by Le Roy, Robert J.
Published in Journal of quantitative spectroscopy & radiative transfer (01.01.2017)

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betaFIT: A computer program to fit pointwise potentials to selected analytic functions

by Le Roy, Robert J., Pashov, Asen
Published in Journal of quantitative spectroscopy & radiative transfer (01.01.2017)

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ExoMol molecular line lists – X. The spectrum of sodium hydride

by Rivlin, Tom, Lodi, Lorenzo, Yurchenko, Sergei N., Tennyson, Jonathan, Le Roy, Robert J.
Published in Monthly notices of the Royal Astronomical Society (21.07.2015)

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Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis

by Cho, Young-Sang, Le Roy, Robert J
Published in The Journal of chemical physics (14.01.2016)

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Constructing high-accuracy intermolecular potential energy surface with multi-dimension Morse/Long-Range model

by Zhai, Yu, Li, Hui, Le Roy, Robert J.
Published in Molecular physics (18.04.2018)

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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

by Li, Hui, Hirano, Tsuneo, Amano, Takayoshi, Le Roy, Robert J
Published in The Journal of chemical physics (28.12.2008)

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A new six-dimensional potential energy surface for H2-N2O and its adiabatic-hindered-rotor treatment

by Wang, Lecheng, Xie, Daiqian, Le Roy, Robert J, Roy, Pierre-Nicholas
Published in The Journal of chemical physics (21.07.2013)

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Analytic three-dimensional 'MLR' potential energy surface for CO(2)-He, and its predicted microwave and infrared spectra

by Li, Hui, Le Roy, Robert J
Published in Physical chemistry chemical physics : PCCP (28.07.2008)

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Molecular superfluid: nonclassical rotations in doped para-hydrogen clusters

by Li, Hui, Le Roy, Robert J, Roy, Pierre-Nicholas, McKellar, A R W
Published in Physical review letters (24.09.2010)

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"Adiabatic-hindered-rotor" treatment of the parahydrogen-water complex

by Zeng, Tao, Li, Hui, Le Roy, Robert J, Roy, Pierre-Nicholas
Published in The Journal of chemical physics (07.09.2011)

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Spectroscopic Properties of MgH2, MgD2, and MgHD Calculated from a New ab Initio Potential Energy Surface

by Li, Hui, Le Roy, Robert J
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.07.2007)

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