Publications

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Author [ Title(Asc)] Type Year
D
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.
C
Zhang, Z. ; Roy, P. - N. ; Li, H. ; Avdeev, M. ; Nazar, L. F. . Coupled Cation–Anion Dynamics Enhances Cation Mobility In Room-Temperature Superionic Solid-State Electrolytes. Journal of the American Chemical Society 2019, 141, 19360–19372.
Blinov, N. ; Roy, P. - N. . Connection Between The Observable And Centroid Structural Properties Of A Quantum Fluid: Application To Liquid Para-Hydrogen. The Journal of chemical physics 2004, 120, 3759–3764.
Blinov, N. ; Roy, P. - N. . Connection Between The Observable And Centroid Structural Properties Of A Quantum Fluid: Application To Liquid Para-Hydrogen. The Journal of chemical physics 2004, 120, 3759–3764.
Blinov, N. ; Roy, P. - N. . Connection Between The Observable And Centroid Structural Properties Of A Quantum Fluid: Application To Liquid Para-Hydrogen. The Journal of chemical physics 2004, 120, 3759–3764.
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.
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.
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.
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.
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.
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.
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.
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. ; 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.
Wespiser, C. ; Turgeon, P. - A. ; Vermette, J. ; Kalugina, Y. ; Roy, P. - N. ; Ayotte, P. . Confinement Effects On Water's Nuclear Spin Isomer Conversion. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2019; Vol. 258.
Wespiser, C. ; Turgeon, P. - A. ; Vermette, J. ; Kalugina, Y. ; Roy, P. - N. ; Ayotte, P. . Confinement Effects On Water’s Nuclear Spin Isomer Conversion. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2019; Vol. 258.
Roy, P. - N. . Confined Molecules: Thermodynamic Properties From Simulations. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2019; Vol. 257.
Mainali, S. ; Gatti, F. ; Iouchtchenko, D. ; Roy, P. - N. ; Meyer, H. - D. . Comparison Of The Multi-Layer Multi-Configuration Time-Dependent Hartree (Ml-Mctdh) Method And The Density Matrix Renormalization Group (Dmrg) For Ground State Properties Of Linear Rotor Chains. The Journal of Chemical Physics 2021, 154, 174106.
Roy, P. - N. ; Blinov, N. . Centroid Dynamics With Quantum Statistics. Israel journal of chemistry 2002, 42, 183–190.
Roy, P. - N. ; Blinov, N. . Centroid Dynamics With Quantum Statistics. Israel journal of chemistry 2002, 42, 183–190.

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