Publications

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Author Title Type [ Year(Asc)]
2012
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Four-Dimensional Ab Initio Potential Energy Surface For N2O–He And Vibrational Band Origin Shifts For The N2O–He N Clusters With N= 1–40. The Journal of chemical physics 2012, 137, 104311.
Ing, C. ; Hinsen, K. ; Yang, J. ; Zeng, T. ; Li, H. ; Roy, P. - N. . A Path-Integral Langevin Equation Treatment Of Low-Temperature Doped Helium Clusters. The Journal of chemical physics 2012, 136, 224309.
Raston, P. L. ; Jäger, W. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Persistent Molecular Superfluid Response In Doped Para-Hydrogen Clusters. Physical review letters 2012, 108, 253402.
2011
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.
Zeng, T. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . “Adiabatic-Hindered-Rotor” Treatment Of The Parahydrogen-Water Complex. The Journal of chemical physics 2011, 135, 094304.
Islam, S. M. ; Richards, M. R. ; Taha, H. A. ; Byrns, S. C. ; Lowary, T. L. ; Roy, P. - N. . Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
Wong, S. Y. Y. ; Benoit, D. M. ; Lewerenz, M. ; Brown, A. ; Roy, P. - N. . Determination Of Molecular Vibrational State Energies Using The Ab Initio Semiclassical Initial Value Representation: Application To Formaldehyde. The Journal of chemical physics 2011, 134, 094110.
Faruk, N. F. ; Yang, J. ; Le Roy, R. J. ; Roy, P. - N. . Simulation Studies Of The Vibrational Dynamics Of $$$$\Backslash$Mathit Para$$ $-Hydrogen Clusters. 2011.
Wang, L. ; Xie, D. ; Guo, H. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Superfluid Response Of 4 Hen–N 2 O Clusters Probed By Path Integral Monte Carlo Simulations. Journal of Molecular Spectroscopy 2011, 267, 136–143.
Zeng, T. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Mixed Clusters Of H $ _2 $ And H $ _2 $ O: Insights From Theory And Simulations. 2011.
Hinsen, C. ; Yang, J. ; Roy, P. - N. ; others, . Applications Of Path Integral Langevin Dynamics To Weakly Bound Clusters And Biological Molecules. In 66th International Symposium On Molecular Spectroscopy; 2011; Vol. 66, p. EFB05.
Faruk, N. F. ; Yang, J. ; Le Roy, R. J. ; Roy, P. - N. . Simulation Studies Of The Vibrational Dynamics Of Para-Hydrogen Clusters. In 66th International Symposium On Molecular Spectroscopy; 2011; Vol. 66, p. ETJ15.
Yang, J. ; Roy, P. - N. . Effective Potential Approach To The Simulation Of Large Para-Hydrogen Clusters And Droplets. In 66th International Symposium On Molecular Spectroscopy; 2011; Vol. 66, p. ETJ14.
Faruk, N. F. ; Yang, J. ; Le Roy, R. J. ; Roy, P. - N. . Simulation Studies Of The Vibrational Dynamics Of $${$$\Backslash$Mathit Para$}$ $-Hydrogen Clusters. 2011.
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.
Zeng, T. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . “Adiabatic-Hindered-Rotor” Treatment Of The Parahydrogen-Water Complex. The Journal of chemical physics 2011, 135, 094304.
Islam, S. M. ; Richards, M. R. ; Taha, H. A. ; Byrns, S. C. ; Lowary, T. L. ; Roy, P. - N. . Conformational Analysis Of Oligoarabinofuranosides: Overcoming Torsional Barriers With Umbrella Sampling. Journal of chemical theory and computation 2011, 7, 2989–3000.
Wong, S. Y. Y. ; Benoit, D. M. ; Lewerenz, M. ; Brown, A. ; Roy, P. - N. . Determination Of Molecular Vibrational State Energies Using The Ab Initio Semiclassical Initial Value Representation: Application To Formaldehyde. The Journal of chemical physics 2011, 134, 094110.
Wang, L. ; Xie, D. ; Guo, H. ; Li, H. ; Le Roy, R. J. ; Roy, P. - N. . Superfluid Response Of 4Hen–N2O Clusters Probed By Path Integral Monte Carlo Simulations. Journal of Molecular Spectroscopy 2011, 267, 136–143.
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.

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