Publications

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Author Title Type [ Year(Asc)]
2009
Li, H. ; Blinov, N. ; Roy, P. - N. ; Le Roy, R. J. . Path-Integral Monte Carlo Simulation Of $Ν$ 3 Vibrational Shifts For Co 2 In (He) N Clusters Critically Tests The He–Co 2 Potential Energy Surface. The Journal of chemical physics 2009, 130, 144305.
2008
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.
Kitova, E. N. ; Seo, M. ; Roy, P. - N. ; Klassen, J. S. . Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
Li, Z. ; Wang, L. ; Ran, H. ; Xie, D. ; Blinov, N. ; Roy, P. - N. ; Guo, H. . Path Integral Monte Carlo Study Of Co 2 Solvation In He 4 Clusters. The Journal of chemical physics 2008, 128, 224513.
Li, H. ; Le Roy, R. J. ; Blinov, N. ; Roy, P. - N. . Quantum Month Carlo Prediction Of Vibrational Frequency Shifts Of $($$$\Backslash$Rm He$$) _N $-Co $ _2 $ Clusters. 2008.
Cuervo, J. E. ; Roy, P. - N. . On The Solid-And Liquidlike Nature Of Quantum Clusters In Their Ground State. The Journal of chemical physics 2008, 128, 224509.
Li, H. ; Le Roy, R. J. ; Blinov, N. ; Roy, P. - N. . Quantum Month Carlo Prediction Of Vibrational Frequency Shifts Of $(${$$\Backslash$Rm He$}$) _N $-Co $ _2 $ Clusters. 2008.
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.
Li, Z. ; Wang, L. ; Ran, H. ; Xie, D. ; Blinov, N. ; Roy, P. - N. ; Guo, H. . Path Integral Monte Carlo Study Of Co 2 Solvation In He 4 Clusters. The Journal of chemical physics 2008, 128, 224513.
Kitova, E. N. ; Seo, M. ; Roy, P. - N. ; Klassen, J. S. . Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
Cuervo, J. E. ; Roy, P. - N. . On The Solid-And Liquidlike Nature Of Quantum Clusters In Their Ground State. The Journal of chemical physics 2008, 128, 224509.
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.
Kitova, E. N. ; Seo, M. ; Roy, P. - N. ; Klassen, J. S. . Elucidating The Intermolecular Interactions Within A Desolvated Protein- Ligand Complex. An Experimental And Computational Study. Journal of the American Chemical Society 2008, 130, 1214–1226.
Li, Z. ; Wang, L. ; Ran, H. ; Xie, D. ; Blinov, N. ; Roy, P. - N. ; Guo, H. . Path Integral Monte Carlo Study Of Co 2 Solvation In He 4 Clusters. The Journal of chemical physics 2008, 128, 224513.
Cuervo, J. E. ; Roy, P. - N. . On The Solid-And Liquidlike Nature Of Quantum Clusters In Their Ground State. The Journal of chemical physics 2008, 128, 224509.
2007
Issack, B. B. ; Roy, P. - N. . Geometric Constraints In Semiclassical Initial Value Representation Calculations In Cartesian Coordinates: Excited States. The Journal of chemical physics 2007, 126, 024111.
Issack, B. B. ; Roy, P. - N. . Quantum Molecular Dynamics Of Hydrogen Bonded Complexes Of Rigid Molecules Using The Semiclassical Initial Value Representation In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 054105.
Issack, B. B. ; Roy, P. - N. . Semiclassical Initial Value Representation Treatment Of A Hydrogen Bonded Complex Of Rigid Water Molecules From A Single Trajectory In Cartesian Coordinates. The Journal of chemical physics 2007, 127, 144306.
Roy, P. - N. ; Blinov, N. ; Issack, B. . Phys 136-Quantum Molecular Dynamics And Quantum Statistics: Imaginary And Real Time Treatments. In ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY; AMER CHEMICAL SOC 1155 16TH ST, NW, WASHINGTON, DC 20036 USA, 2007; Vol. 234.
Roy, P. - N. ; Cuervo, J. ; Boninsegni, M. . Weakly Bound Quantum Clusters At Ultra Low Temperatures: Rigid Or Liquid?. 2007.

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