Publications

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[ Author(Desc)] Title Type Year
S
Serwatka, T. ; Yim, S. ; Ayotte, P. ; Roy, P. - N. . On The Nature Of The Schottky Anomaly In Endohedral Water. The Journal of Chemical Physics 2023, 158, 124310.
Serwatka, T. ; Roy, P. - N. . Optimized Basis Sets For Dmrg Calculations Of Quantum Chains Of Rotating Water Molecules. arXiv preprint arXiv:2304.09410 2023.
Serwatka, T. ; Roy, P. - N. . Quantum Criticality And Universal Behavior In Molecular Dipolar Lattices Of Endofullerenes. arXiv preprint arXiv:2304.09404 2023.
Serwatka, T. ; Melko, R. G. ; Burkov, A. ; Roy, P. - N. . Quantum Phase Transition In The One-Dimensional Water Chain. Physical Review Letters 2023, 130, 026201.
Serwatka, T. ; Roy, P. - N. . Ferroelectric Water Chains In Carbon Nanotubes: Creation And Manipulation Of Ordered Quantum Phases. The Journal of Chemical Physics 2022, 157, 234301.
Serwatka, T. ; Roy, P. - N. . Ground State Of Asymmetric Tops With Dmrg: Water In One Dimension. The Journal of Chemical Physics 2022, 156, 044116.
Song, X. G. ; Xu, Y. ; Roy, P. - N. ; Jäger, W. . Rotational Spectrum, Potential Energy Surface, And Bound States Of The Weakly Bound Complex He–N 2 O. The Journal of chemical physics 2004, 121, 12308–12314.
Song, X. G. ; Xu, Y. ; Roy, P. - N. ; Jäger, W. . Rotational Spectrum, Potential Energy Surface, And Bound States Of The Weakly Bound Complex He–N 2 O. The Journal of chemical physics 2004, 121, 12308–12314.
Song, X. G. ; Xu, Y. ; Roy, P. - N. ; Jäger, W. . Rotational Spectrum, Potential Energy Surface, And Bound States Of The Weakly Bound Complex He–N 2 O. The Journal of chemical physics 2004, 121, 12308–12314.
T
Taha, H. A. ; Roy, P. - N. ; Lowary, T. L. . Theoretical Investigations On The Conformation Of The Β-D-Arabinofuranoside Ring. Journal of chemical theory and computation 2011, 7, 420–432.
Taha, H. A. ; Roy, P. - N. ; Lowary, T. L. . Theoretical Investigations On The Conformation Of The Β-D-Arabinofuranoside Ring. Journal of chemical theory and computation 2010, 7, 420–432.
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. ; Roy, P. - N. ; Lowary, T. L. . Theoretical Investigations On The Conformation Of The $\Beta$-D-Arabinofuranoside Ring. Journal of chemical theory and computation 2010, 7, 420–432.
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. ; 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. ; 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. ; 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.
Tanaka, S. ; Roy, P. - N. ; Mitas, L. . Recent Progress In Quantum Monte Carlo, 2016.
Tanaka, S. ; Roy, P. - N. ; Mitas, L. . Recent Progress In Quantum Monte Carlo, 2016.

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