Publications

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Author Title Type Year(Desc)
2009
Taha, H. A. ; Castillo, N. ; Sears, D. N. ; Wasylishen, R. E. ; Lowary, T. L. ; Roy, P. - N.. Conformational Analysis Of Arabinofuranosides: Prediction Of 3 Jh, H Using Md Simulations With Dft-Derived Spin- Spin Coupling Profiles. Journal of chemical theory and computation 2009, 6, 212–222.
Taha, H. A. ; Castillo, N. ; Roy, P. - N. ; Lowary, T. L.. Conformational Studies Of Methyl $\Beta$-D-Arabinofuranoside Using The Amber/Glycam Approach. Journal of chemical theory and computation 2009, 5, 430–438.
Li, H. ; Blinov, N. ; Roy, P. - N. ; Le Roy, R. J.. Path-Integral Monte Carlo Simulation Of $Ν$ 3 Vibrational Shifts For Co 2 In (He) N Clusters Critically Tests The He–Co 2 Potential Energy Surface. The Journal of chemical physics 2009, 130, 144305.
2010
Li, H. ; Roy, P. - N. ; Le Roy, R. J.. An “Adiabatic-Hindered-Rotor” Treatment Allows Para-H 2 To Be Treated As If It Were Spherical. The Journal of chemical physics 2010, 133, 104305.
Li, H. ; Roy, P. - N. ; Le Roy, R. J.. Analytic Morse/Long-Range Potential Energy Surfaces And Predicted Infrared Spectra For Co 2–H 2. The Journal of chemical physics 2010, 132, 214309.
Li, H. ; Le Roy, R. J. ; Roy, P. - N. ; McKellar, A. R. W.. Molecular Superfluid: Nonclassical Rotations In Doped Para-Hydrogen Clusters. Physical review letters 2010, 105, 133401.
Taha, H. A. ; Roy, P. - N. ; Lowary, T. L.. Theoretical Investigations On The Conformation Of The Β-D-Arabinofuranoside Ring. Journal of chemical theory and computation 2010, 7, 420–432.
Li, H. ; Liu, Y. D. ; Jäger, W. ; Le Roy, R. J. ; Roy, P. - N.. Theoretical Study Of The Microwave Spectrum Of Isotopologues Of Ocs–(He) 2. Canadian Journal of Chemistry 2010, 88, 1146–1154.
Roy, P. Nicholas. Quantum Dynamics Of Confined Molecules. Phys. Rev. Lett 2010, 105, 133401.
Li, H. ; Le Roy, R. J. ; Roy, P. - N. ; McKellar, A. R. W.. Superfluid Effects In Para-H_2 Clusters Probed By Co_2 Rotation-Vibration Transitions. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. MF01.
Wang, L. ; Xie, D. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N.. A New Potential Energy Surface For N_2O–He, And Pimc Simulations Probing Infrared Spectra And Superfluidity. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. RI07.
Li, H. ; Le Roy, R. J. ; Roy, P. - N.. Quantum Monte Carlo Prediction Of Vibrational Frequency Shifts For Co–(P-H_2) _N Clusters. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. MF03.
Li, H. ; McKellar, A. R. W. ; Le Roy, R. J. ; Roy, A. - N.. Theoretical And Experimental Study Of The Infrared Spectra Of Co_2-(Para-H_2) _2 Trimers. In 65th International Symposium On Molecular Spectroscopy; 2010; Vol. 65, p. MF02.
Li, H. ; Liu, Y. ; Jäger, W. ; Le Roy, R. J. ; Roy, P. - N.. Theoretical Study Of The Microwave Spectrum Of Isotopologues Of Ocs–(He) 2. Canadian Journal of Chemistry 2010, 88, 1146–1154.
Li, H. ; Roy, P. - N. ; Le Roy, R. J.. An “Adiabatic-Hindered-Rotor” Treatment Allows Para-H 2 To Be Treated As If It Were Spherical. The Journal of chemical physics 2010, 133, 104305.
Li, H. ; Roy, P. - N. ; Le Roy, R. J.. Analytic Morse/Long-Range Potential Energy Surfaces And Predicted Infrared Spectra For Co 2–H 2. The Journal of chemical physics 2010, 132, 214309.
Taha, H. A. ; Castillo, N. ; Sears, D. N. ; Wasylishen, R. E. ; Lowary, T. L. ; Roy, P. - N.. Conformational Analysis Of Arabinofuranosides: Prediction Of 3 Jh, H Using Md Simulations With Dft-Derived Spin- Spin Coupling Profiles. Journal of chemical theory and computation 2010, 6, 212–222.
Li, H. ; Le Roy, R. J. ; Roy, P. - N. ; McKellar, A. R. W.. Molecular Superfluid: Nonclassical Rotations In Doped Para-Hydrogen Clusters. Physical review letters 2010, 105, 133401.
Li, H. ; Liu, Y. D. ; Jäger, W. ; Le Roy, R. J. ; Roy, P. - N.. Theoretical Study Of The Microwave Spectrum Of Isotopologues Of Ocs–(He) 2. Canadian Journal of Chemistry 2010, 88, 1146–1154.
Li, H. ; Roy, P. - N. ; Le Roy, R. J.. An “Adiabatic-Hindered-Rotor” Treatment Allows Para-H 2 To Be Treated As If It Were Spherical. The Journal of chemical physics 2010, 133, 104305.

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