Publications

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Author Title [ Type(Desc)] Year
Journal Article
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. ; 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.
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. ; Roy, P. - N. ; Lowary, T. L. . Theoretical Investigations On The Conformation Of The $\Beta$-D-Arabinofuranoside Ring. Journal of chemical theory and computation 2010, 7, 420–432.
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.
Cuervo, J. E. ; Roy, P. - N. . Weakly Bound Complexes Trapped In Quantum Matrices: Structure, Energetics, And Isomer Coexistence In (Para-H 2) N (Ortho-D 2) 3 Clusters. The Journal of chemical physics 2009, 131, 114302.
Wong, S. Y. Y. ; Roy, P. - N. ; Brown, A. . Ab Initio Electronic Structure And Direct Dynamics Simulations Of Ch3Ocl 1. Canadian Journal of Chemistry 2009, 87, 1022–1029.
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 Β-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.
Wong, S. Y. Y. ; Roy, P. - N. ; Brown, A. . Ab Initio Electronic Structure And Direct Dynamics Simulations Of Ch3Ocl. Canadian Journal of Chemistry 2009, 87, 1022–1029.
Cuervo, J. E. ; Roy, P. - N. . Weakly Bound Complexes Trapped In Quantum Matrices: Structure, Energetics, And Isomer Coexistence In (Para-H 2) N (Ortho-D 2) 3 Clusters. The Journal of chemical physics 2009, 131, 114302.
Taha, H. A. ; Castillo, N. ; Roy, P. - N. ; Lowary, T. L. . Conformational Studies Of Methyl Β-D-Arabinofuranoside Using The Amber/Glycam Approach. Journal of chemical theory and computation 2009, 5, 430–438.

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