Publications

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Author Title Type [ Year(Asc)]
2013
Tritzant-Martinez, Y. ; Zeng, T. ; Broom, A. ; Meiering, E. ; Le Roy, R. J. ; Roy, P. - N. . On The Analytical Representation Of Free Energy Profiles With A Morse/Long-Range Model: Application To The Water Dimer. The Journal of chemical physics 2013, 138, 234103.
Constable, S. ; Schmidt, M. ; Ing, C. ; Zeng, T. ; Roy, P. - N. . Langevin Equation Path Integral Ground State. The Journal of Physical Chemistry A 2013, 117, 7461–7467.
Guillon, G. ; Zeng, T. ; Roy, P. - N. . A New Post-Quantization Constrained Propagator For Rigid Tops For Use In Path Integral Quantum Simulations. The Journal of chemical physics 2013, 139, 184115.
Wang, L. ; Xie, D. ; Le Roy, R. J. ; Roy, P. - N. . A New Six-Dimensional Potential Energy Surface For H2–N2O And Its Adiabatic-Hindered-Rotor Treatment. The Journal of chemical physics 2013, 139, 034312.
Guillon, G. ; Zeng, T. ; Roy, P. - N. . On The Origin And Convergence Of A Post-Quantization Constrained Propagator For Path Integral Simulations Of Rigid Bodies. The Journal of chemical physics 2013, 138, 184101.
Zeng, T. ; Guillon, G. ; Cantin, J. T. ; Roy, P. - N. . Probing The Superfluid Response Of Para-Hydrogen With A Sulfur Dioxide Dopant. The journal of physical chemistry letters 2013, 4, 2391–2396.
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.
Islam, S. M. ; Roy, P. - N. . Performance Of The Scc-Dftb Model For Description Of Five-Membered Ring Carbohydrate Conformations: Comparison To Force Fields, High-Level Electronic Structure Methods, And Experiment. Journal of chemical theory and computation 2012, 8, 2412–2423.
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.
Zeng, T. ; Li, H. ; Roy, P. - N. . Simulating Asymmetric Top Impurities In Superfluid Clusters: A Para-Water Dopant In Para-Hydrogen. The journal of physical chemistry letters 2012, 4, 18–22.
Zeng, T. ; Li, H. ; Roy, P. - N. . Asymmetric Top Rotors In Superfluid Para-Hydrogen Nano-Clusters. In 67th International Symposium on Molecular Spectroscopy; 2012; p. RI12.
Schmidt, M. ; Constable, S. ; Zeng, T. ; Yang, J. ; Nyman, M. ; Roy, P. - N. ; others, . Molecular Dynamics Simulations On Various Weakly Bound Water-Parahydrogen Systems At Ultracold Temperature. In 67th International Symposium on Molecular Spectroscopy; 2012; p. RI13.
Roy, P. - N. . Dopant Rotation In Molecular Superfluid Clusters. In 67th International Symposium on Molecular Spectroscopy; 2012; p. RI06.
Islam, S. M. ; Roy, P. - N. . Performance Of The Scc-Dftb Model For Description Of Five-Membered Ring Carbohydrate Conformations: Comparison To Force Fields, High-Level Electronic Structure Methods, And Experiment. Journal of chemical theory and computation 2012, 8, 2412–2423.
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.
Islam, S. M. ; Roy, P. - N. . Performance Of The Scc-Dftb Model For Description Of Five-Membered Ring Carbohydrate Conformations: Comparison To Force Fields, High-Level Electronic Structure Methods, And Experiment. Journal of chemical theory and computation 2012, 8, 2412–2423.
Zeng, T. ; Li, H. ; Roy, P. - N. . Simulating Asymmetric Top Impurities In Superfluid Clusters: A Para-Water Dopant In Para-Hydrogen. The journal of physical chemistry letters 2012, 4, 18–22.

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