Publications

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Author [ Title(Desc)] Type Year
A
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.
Seo, M. ; Castillo, N. ; Ganzynkowicz, R. ; Daniels, C. R. ; Woods, R. J. ; Lowary, T. L. ; Roy, P. - N. . Approach For The Simulation And Modeling Of Flexible Rings: Application To The Α-D-Arabinofuranoside Ring, A Key Constituent Of Polysaccharides From Mycobacterium Tuberculosis. Journal of chemical theory and computation 2008, 4, 184.
Seo, M. ; Castillo, N. ; Ganzynkowicz, R. ; Daniels, C. R. ; Woods, R. J. ; Lowary, T. L. ; Roy, P. - N. . Approach For The Simulation And Modeling Of Flexible Rings: Application To The Α-D-Arabinofuranoside Ring, A Key Constituent Of Polysaccharides From Mycobacterium Tuberculosis. Journal of chemical theory and computation 2008, 4, 184–191.
Seo, M. ; Castillo, N. ; Ganzynkowicz, R. ; Daniels, C. R. ; Woods, R. J. ; Lowary, T. L. ; Roy, P. - N. . Approach For The Simulation And Modeling Of Flexible Rings: Application To The $\Alpha$-D-Arabinofuranoside Ring, A Key Constituent Of Polysaccharides From Mycobacterium Tuberculosis. Journal of chemical theory and computation 2008, 4, 184.
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.
C
Moffatt, P. ; Blinov, N. ; Roy, P. - N. . On The Calculation Of Single-Particle Time Correlation Functions From Bose–Einstein Centroid Dynamics. The Journal of chemical physics 2004, 120, 4614–4618.
Moffatt, P. ; Blinov, N. ; Roy, P. - N. . On The Calculation Of Single-Particle Time Correlation Functions From Bose–Einstein Centroid Dynamics. The Journal of chemical physics 2004, 120, 4614–4618.
Moffatt, P. ; Blinov, N. ; Roy, P. - N. . On The Calculation Of Single-Particle Time Correlation Functions From Bose–Einstein Centroid Dynamics. The Journal of chemical physics 2004, 120, 4614–4618.
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.
Roy, P. - N. ; Blinov, N. . Centroid Dynamics With Quantum Statistics. Israel journal of chemistry 2002, 42, 183–190.
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. . 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.
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.
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.
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.

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