Publications

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[ Author(Desc)] Title Type Year
I
Issack, B. B. ; Roy, P. - N. . Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Accurate Reduction In Zero-Point Energy. The Journal of chemical physics 2005, 123, 084103.
K
Kalugina, Y. N. ; Roy, P. - N. . Potential Energy And Dipole Moment Surfaces For Hf@ C60: Prediction Of Spectral And Electric Response Properties. The Journal of chemical physics 2017, 147, 244303.
Kitova, E. N. ; Seo, M. ; Roy, P. - N. ; Klassen, J. S. . Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
Kitova, E. N. ; Seo, M. ; Roy, P. - N. ; Klassen, J. S. . Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
Kitova, E. N. ; Seo, M. ; Roy, P. - N. ; Klassen, J. S. . Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
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Li, F. ; Zhou, C. ; Feygin, E. ; Roy, P. - N. ; Chen, L. D. ; Klinkova, A. . Reaction-Intermediate-Induced Atomic Mobility In Heterogeneous Metal Catalysts For Electrochemical Reduction Of Co 2. Physical Chemistry Chemical Physics 2022, 24, 19432–19442.
Li, H. ; Zhang, X. - L. ; Zeng, T. ; Le Roy, R. J. ; Roy, P. - N. . Suppression Of Parahydrogen Superfluidity In A Doped Nanoscale Bose Fluid Mixture. Physical review letters 2019, 123, 093001.
Li, H. ; Zhang, X. - L. ; Le Roy, R. J. ; Roy, P. - N. . Analytic Morse/Long-Range Potential Energy Surfaces And Predicted Infrared Spectra For Co–H2 Dimer And Frequency Shifts Of Co In (Para-H2) Nn= 1–20 Clusters. The Journal of chemical physics 2013, 139, 164315.
Li, H. ; Zhang, X. - L. ; Le Roy, R. J. ; Roy, P. - N. . Analytic Morse/Long-Range Potential Energy Surfaces And Predicted Infrared Spectra For Co–H2 Dimer And Frequency Shifts Of Co In (Para-H2) Nn= 1–20 Clusters. The Journal of chemical physics 2013, 139, 164315.
Li, H. ; Zhang, X. - L. ; Le Roy, R. J. ; Roy, P. - N. . Analytic Morse/Long-Range Potential Energy Surfaces And Predicted Infrared Spectra For Co–H2 Dimer And Frequency Shifts Of Co In (Para-H2) Nn= 1–20 Clusters. The Journal of chemical physics 2013, 139, 164315.
Li, H. ; McKellar, A. R. W. ; Le Roy, R. J. ; Roy, P. - N. . Theoretical And Experimental Study Of Weakly Bound Co2–(P H2) 2 Trimers. The Journal of Physical Chemistry A 2011, 115, 7327–7337.
Li, H. ; Le Roy, R. J. ; Roy, P. - N. ; McKellar, A. R. W. . Theoretical And Experimental Study Of The Rovibrational Spectra Of Co_2-(Para-H_2)-He Trimers. In 66th International Symposium On Molecular Spectroscopy; 2011; Vol. 66, p. ETI09.
Li, H. ; McKellar, A. R. W. ; Le Roy, R. J. ; Roy, P. - N. . Theoretical And Experimental Study Of Weakly Bound Co2–(P H2) 2 Trimers. The Journal of Physical Chemistry A 2011, 115, 7327–7337.
Li, H. ; McKellar, A. R. W. ; Le Roy, R. J. ; Roy, P. - N. . Theoretical And Experimental Study Of Weakly Bound Co2–(P H2) 2 Trimers. The Journal of Physical Chemistry A 2011, 115, 7327–7337.
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.
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. ; 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.
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.

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